SCHEMBL17705807

SCHEMBL17705807

CC(C)c1[nH]ccc1F

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
SCHEMBL827075 0.72
SCHEMBL2621616 0.72 GABRA1 (0.33)
SCHEMBL24840713 0.67
SCHEMBL1106131 0.67 CA2 (0.30)
SCHEMBL14544798 0.65 CCR8 (0.37)
SCHEMBL12701600 0.65 GABRA1 (0.39)
SCHEMBL18332825 0.65 CCR8 (0.37)
SCHEMBL13301396 0.64 MAPT (0.44)
SCHEMBL18467374 0.64 TSHR (0.36)
SCHEMBL21736997 0.63

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20230365549-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALING PATHWAY REDX PHARMA PLC (GB) 2023-11-16 US disclosed
US-11795169-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-10-24 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11643408-B2 N-pyridinyl acetamide derivatives as inhibitors of the WNT signaling pathway REDX PHARMA PLC (GB) 2023-05-09 US disclosed
WO-2020135771-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2020-07-02 WO disclosed
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170298062-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS WNT SIGNALLING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2017-10-19 US disclosed
US-20170298061-A1 FUSED BICYCLIC (HETERO)AROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF CANCERS U.S. BANK NATIONAL ASSOCIATION 2017-10-19 US disclosed
US-20170275276-A1 N-PYRIDINYL ACETAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALING PATHWAY REDX PHARMA PLC (GB) 2017-09-28 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 US disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed