SCHEMBL104493

SCHEMBL104493

CC(C)CC(F)F

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
SCHEMBL727821 0.75
SCHEMBL12399296 0.75 TSHR (0.41)
SCHEMBL3976069 0.75
SCHEMBL16468814 0.71
SCHEMBL38322 0.71
SCHEMBL13719614 0.71
SCHEMBL24675 0.71
SCHEMBL23748389 0.69
SCHEMBL24769059 0.69
SCHEMBL22393885 0.69 ALDH1A1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
WO-2024059010-A1 COMPOUNDS FOR TREATING CANCER GENESIS THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
EP-1483249-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2006-09-06 EP disclosed
US-20050171130-A1 Pyrimidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-04 US disclosed
EP-0406748-B1 Dehydrofluorination and dehydrogenation of fluorinated alkanes ATOCHEM NORTH AMERICA (US) 1994-09-28 EP disclosed
EP-0406748-A2 Dehydrofluorination and dehydrogenation of fluorinated alkanes ATOCHEM NORTH AMERICA, INC. (US) 1991-01-09 EP disclosed
US-3976691-A Dialkylaminosulfur trifluorides as fluorinating agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-24 US disclosed