SCHEMBL687582

SCHEMBL687582

[CH]1CC2CC(C1)C2

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
SCHEMBL493581 0.91
SCHEMBL834366 0.84
SCHEMBL1267181 0.83
SCHEMBL4317503 0.73
SCHEMBL4318976 0.68
SCHEMBL24236 0.67
SCHEMBL4314494 0.67
SCHEMBL4317631 0.65
SCHEMBL4318392 0.65
SCHEMBL13728745 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092764-A1 KINASE INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2024-03-21 US claimed
US-20240092765-A1 METHODS OF INHIBITING KINASES INSILICO MEDICINE IP LIMITED (HK) 2024-03-21 US claimed
US-11795160-B2 Kinase inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-10-24 US claimed
US-11739078-B2 Methods of inhibiting kinases INSILICO MEDICINE IP LIMITED (HK) 2023-08-29 US claimed
EP-3927700-A1 KINASE INHIBITORS Insilico Medicine IP Limited (HK) 2021-12-29 EP claimed
US-20200270234-A1 KINASE INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2020-08-27 US claimed
US-20200270231-A1 METHODS OF INHIBITING KINASES INSILICO MEDICINE IP LIMITED (HK) 2020-08-27 US claimed
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP claimed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US claimed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1088819-B1 6-azauracil derivatives as thyroid receptor ligands PFIZER PROD INC (US) 2005-06-15 EP claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
US-6787652-B1 LOWERING LIPIDS AND SERUM CHOLESTEROL WITHOUT GENERATING ADVERSE CARDIAC EFFECTS; 4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZINE DERIVATIVES PFIZER, INC. 2004-09-07 US claimed
US-20040157844-A1 6-azauracil derivatives as thyroid receptor ligands DOW ROBERT L (US) 2004-08-12 US claimed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP claimed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO claimed
EP-1088819-A2 6-azauracil derivatives as thyroid receptor ligands Pfizer Products Inc. (US) 2001-04-04 EP claimed
EP-0832898-A2 Substituted amino acid derivatives BAYER AG (DE) 1998-04-01 EP claimed
US-5280009-A Herbicide BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US claimed