SCHEMBL116289

SCHEMBL116289

CCn1cc(C)c(C)n1

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
SCHEMBL20184135 0.88 L3MBTL1 (0.44)
SCHEMBL13964862 0.81 ADORA2A (0.38)
SCHEMBL6865368 0.78
SCHEMBL23399524 0.78
SCHEMBL20156059 0.78 SMN1; SMN2 (0.44)
SCHEMBL24937145 0.78 SMN1; SMN2 (0.37)
SCHEMBL24526545 0.76
SCHEMBL1361978 0.76 L3MBTL1 (0.62)
SCHEMBL24977207 0.76
SCHEMBL13059139 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
CN-111825617-B Method for preparing 1, 3-dimethyl-4-chloromethylpyrazole-5-formate intermediate 南通江山农药化工股份有限公司 2023-08-29 CN disclosed
WO-2023017263-A1 POTASSIUM CHANNEL MODULATORS AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-16 WO disclosed
US-20220169648-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-06-02 US disclosed
EP-3672941-B1 PYRIDYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2022-02-09 EP disclosed
US-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-25 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
CN-111825617-A Method for preparing 1, 3-dimethyl-4-chloromethyl pyrazole-5-formic ether intermediate 四川福思达生物技术开发有限责任公司 2020-10-27 CN disclosed
EP-2300458-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience Aktiengesellschaft (DE) 2011-03-30 EP disclosed
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-08-05 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-20100160164-A1 SUBSTITUTED 1-(DIAZINYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 US disclosed
WO-2010063422-A1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-06-10 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
WO-2009152995-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-12-23 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed