SCHEMBL3840796

SCHEMBL3840796

O=C=NC(F)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
EPHX1 P07099 2/20 0.40
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MAOA P21397 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MDM2 Q00987 1/20 0.37
LAP3 P28838 3/20 0.36

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
SCHEMBL2113933 0.79 EPHX1 (0.44) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL15479086 0.78 CYP1A2 (0.42) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL8837437 0.76 CYP1A2 (0.41) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL28997356 0.76 CYP1A2 (0.41) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL21056125 0.76 SLC6A2 (0.48) CYP1A2PKMSLC6A2TAAR1SLC6A4
SCHEMBL2729032 0.76 SLC6A2 (0.48) CYP1A2PKMSLC6A2TAAR1SLC6A4
SCHEMBL27515553 0.76 SLC6A2 (0.48) CYP1A2PKMSLC6A2TAAR1SLC6A4
SCHEMBL7614971 0.76 CYP1A2 (0.41) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL1848616 0.74 EPHX1 (0.42) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL23123157 0.73 SIGMAR1 (0.43) CYP1A2EPHX1SLC6A2TAAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
WO-2023055427-A1 SMALL MOLECULE ANTAGONISTS OF PF4 NEW YORK BLOOD CENTER, INC. (US) 2023-04-06 WO disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 US disclosed
WO-2022179939-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2022-09-01 WO disclosed
EP-3997149-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
US-20170058075-A1 POLYISO-UREA BASF SE (DE) 2017-03-02 US disclosed
US-20170058074-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2017-03-02 US disclosed
EP-3107945-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2016-12-28 EP disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
WO-2015127038-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2015-08-27 WO disclosed
WO-2015127041-A1 A POLYISO-UREA BASF SE (DE) 2015-08-27 WO disclosed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 US disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO disclosed