SCHEMBL3837709

SCHEMBL3837709

Cc1cc(C)c(N=C=O)c(C)c1Br

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
TRPA1 O75762 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
DRD3 P35462 1/20 0.30

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
SCHEMBL441816 0.85 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL16707385 0.81 CYP3A4 (0.40) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL4306324 0.78 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL14493733 0.78 CYP3A4 (0.38) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL1869910 0.77 CYP3A4 (0.40) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL1457513 0.77 CYP3A4 (0.39) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL5427471 0.76 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL23213549 0.76 GABRA1 (0.38) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL29796161 0.76 GABRA1 (0.38) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL3685073 0.73 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2

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 33 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
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 CN disclosed
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 CN 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
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-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
EP-3107945-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2016-12-28 EP disclosed
WO-2015127041-A1 A POLYISO-UREA BASF SE (DE) 2015-08-27 WO disclosed
WO-2015127038-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2015-08-27 WO disclosed
CN-101617036-A Benefit agent delivery compositions PROCTER & GAMBLE 2009-12-30 CN 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