SCHEMBL888752

SCHEMBL888752

CC(C)C(=O)CC1CC1

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
SCHEMBL15043696 0.93 EPHX1 (0.36)
SCHEMBL22525988 0.91 EPHX2 (0.37)
SCHEMBL22525989 0.91 EPHX2 (0.37)
SCHEMBL16233037 0.91 SHBG (0.35)
SCHEMBL10137775 0.91 EPHX1 (0.36)
SCHEMBL7917689 0.90 KMT2A (0.42)
SCHEMBL801082 0.90 EPHX1 (0.38)
SCHEMBL24483454 0.89 ANPEP (0.38)
SCHEMBL25123354 0.89 ANPEP (0.38)
SCHEMBL22214117 0.89 SMYD3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826365-B2 Type II raf kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-28 US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 US disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080021058-A1 Pyrazolo '3,4-B! Pyridine Compounds And Their Use As Phosphodiesterase Type 4(Pde4) Inhibitors GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed