SCHEMBL1714213

SCHEMBL1714213

CCCCCCCCCCCCCCC(C=O)(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GGPS1 O95749 6/20 0.40
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
FDPS P14324 9/20 0.39
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CES2 O00748 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28211171 0.98 TSHR (0.39) TSHRGGPS1EPHX1ADH1BADH1C
Formaldehyde SCHEMBL15995620 0.96 TSHR (0.39) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL28422225 0.93 TSHR (0.41) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL28171004 0.91 TSHR (0.37) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL11805769 0.90 TSHR (0.38) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL7732151 0.88 TSHR (0.44) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL3896366 0.87 TSHR (0.42) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL8955352 0.87 GGPS1 (0.39) GGPS1FDPSFAAHTRPV1CES2
SCHEMBL7735780 0.86 TSHR (0.42) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL28626292 0.86 TSHR (0.42) TSHRGGPS1EPHX1ADH1BADH1C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615580-B1 A COMPOSITION USED IN 3D PRINTING SYSTEM, ITS APPLICATION THEREOF BASF SE (DE) 2022-06-08 EP claimed
EP-0912521-B1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER (US) 2005-04-06 EP claimed
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP claimed
EP-0828741-B1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES UPJOHN CO (US) 2001-08-29 EP claimed
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed
EP-0727990-B1 COMPOUNDS, COMPOSITIONS AND TREATMENT OF ALLERGIES AND INFLAMMATION SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP claimed
EP-0558416-B1 New 17-(methylene)-lactone spiro condensed steroids, method and intermediates for their production, their use as medicines and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1996-05-22 EP claimed
EP-0157508-B1 THIN ADHESIVE SHEET FOR USE IN WORKING SEMICONDUCTOR WAFERS NITTO DENKO CORPORATION (JP) 1992-07-15 EP claimed
EP-1979339-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2012-10-31 EP disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
EP-0861247-B1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2009-10-07 EP disclosed
EP-2094699-A2 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 Sanofi-Aventis (FR) 2009-09-02 EP disclosed
EP-2035408-A1 SULPHUR-CONTAINING CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2009-03-18 EP disclosed
EP-0046001-A1 3-Oxo or 3-ketal, 20-oxo-diene steroid compounds, process for their preparation and their utilization in the preparation of medicines ROUSSEL-UCLAF (FR) 1982-02-17 EP disclosed
EP-0044575-A1 Intermediate compounds in the preparation of 2-substituted-19-nor steroids ROUSSEL-UCLAF (FR) 1982-01-27 EP disclosed
EP-0004222-B1 4,5-SECO-ESTRANE-3,5,17-TRIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF THERAPEUTICALLY ACTIVE COMPOUNDS ROUSSEL-UCLAF (FR) 1981-10-28 EP disclosed
EP-0012641-A2 Substituted-19-nor-pregn-4-ene-3,20-dione derivatives, process for their preparation and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1980-06-25 EP disclosed
EP-0007823-A2 3,20-Dioxo-4,9-diene-21-hydroxy-steroid compounds, process for their preparation, their use in medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1980-02-06 EP disclosed
EP-0004222-A1 4,5-Seco-estrane-3,5,17-trione derivatives, process for their preparation and their use for the preparation of therapeutically active compounds ROUSSEL-UCLAF (FR) 1979-09-19 EP disclosed