SCHEMBL1032152

SCHEMBL1032152

COC1=CCC(C)=CC1

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
SCHEMBL8941730 0.86 CA1 (0.35)
SCHEMBL1145502 0.83
SCHEMBL797340 0.76
SCHEMBL11455861 0.72
SCHEMBL895220 0.69
SCHEMBL8758 0.69
SCHEMBL1031340 0.69
SCHEMBL9542238 0.69
SCHEMBL11801827 0.67
SCHEMBL1647723 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 US claimed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US claimed
JP-2003510303-A 2003-03-18 JP claimed
EP-1216226-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES Novartis AG (CH) 2002-06-26 EP claimed
WO-2001023346-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-04-05 WO claimed
US-12421178-B2 Non-cryogenic, ammonia-free reduction of aryl compounds University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-09-23 US disclosed
US-20240092708-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2024-03-21 US disclosed
US-11866386-B2 Non-cryogenic, ammonia-free reduction of aryl compounds University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2024-01-09 US disclosed
US-20220089508-A1 Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-03-24 US disclosed
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
WO-2001014355-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed
US-4670041-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-02 US disclosed
EP-0081893-B1 OXABICYCLOALKANE HERBICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-03-04 EP disclosed
US-4567283-A EPOXYCYCLOHEXANOLS SHELL OIL COMPANY (US) 1986-01-28 US disclosed
US-4554366-A HERBICIDES, PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1985-11-19 US disclosed
US-4542244-A Oxabicycloalkane herbicides SHELL OIL COMPANY (US) 1985-09-17 US disclosed
EP-0081893-A2 Oxabicycloalkane herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-06-22 EP disclosed
US-4231928-A 6-(7-HYDROXY-4-OXO-4H-PYRIMIDO(1,2-B)PYRIDAZIN-3-YL-CARBOXAMIDO) SUBSTITUTED PENICILLINS BRISTOL-MYERS COMPANY (US) 1980-11-04 US disclosed