SCHEMBL1995513

SCHEMBL1995513

CC#CC1CCCCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1987796 0.97
SCHEMBL5252593 0.90
SCHEMBL524541 0.83
SCHEMBL19454473 0.82 ALDH1A1 (0.38)
SCHEMBL2106124 0.79 KCNH2 (0.39)
SCHEMBL209316 0.73
SCHEMBL11287672 0.73
SCHEMBL28833152 0.71 TSHR (0.33)
SCHEMBL8792388 0.71 TSHR (0.33)
SCHEMBL2116433 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP claimed
EP-2994474-B1 SATURATED AND UNSATURATED SILAHYDROCARBONS VIA IRON AND COBALT PYRIDINE DIIMINE CATALYZED OLEFIN SILYLATION MOMENTIVE PERFORMANCE MAT INC (US) 2017-12-20 EP claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
EP-1851234-B1 SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS AVENTIS PHARMA INC (US) 2009-01-07 EP claimed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP claimed
EP-1218337-B1 SYNTHESIS OF 3,5,7|-1H-IMIDAZO 1,5-A|IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2007-10-31 EP claimed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP claimed
JP-2007507574-A 2007-03-29 JP claimed
EP-1670852-A1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-06-21 EP claimed
EP-0831812-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH VERTEX PHARMA (US) 2005-12-07 EP claimed
EP-0227241-B1 Medicinal indole and indazole keto sulphone derivatives ZENECA INC (US) 1996-09-11 EP claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0512349-B1 Benzothiophene-2-carboxamide-S,S-dioxides BAYER AG (DE) 1996-02-14 EP claimed
EP-0193065-B1 Morpholine derivatives, processes for their production and their use as fungicides BASF AG (DE) 1995-08-23 EP claimed
EP-0355544-B1 Substituted decalin amines, method for their preparation and their use in pesticides BAYER AG (DE) 1994-01-26 EP claimed
EP-0220066-B1 CARBOXAMIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-03-25 EP claimed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP claimed
EP-0242167-B1 HETEROCYCLIC CARBOXAMIDES ICI AMERICAS INC. (US) 1991-11-27 EP claimed
EP-0278352-B1 AMINOMETHYL-TETRAHYDRO-FURANES BAYER AG (DE) 1991-04-10 EP claimed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP claimed