SCHEMBL4222977

SCHEMBL4222977

CCCc1ccn[nH]1

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
SCHEMBL4629926 0.86
SCHEMBL658444 0.85 USP2 (0.55)
SCHEMBL25530345 0.83 USP2 (0.53)
SCHEMBL26432247 0.83 USP2 (0.53)
SCHEMBL18649060 0.83 USP2 (0.53)
SCHEMBL241536 0.80
SCHEMBL21721708 0.76
SCHEMBL18236754 0.76
SCHEMBL26793344 0.76
SCHEMBL16490343 0.76 USP2 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113528255-A Chemical cleaning liquid and use method thereof 安集微电子科技(上海)股份有限公司 2021-10-22 CN claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
CN-1264703-A Process for synthesizing 5-n-propyl pyrazole-3-ethyl formate HUADONG SCIENCE & ENGINEERING (CN) 2000-08-30 CN claimed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 EP disclosed
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230338571-A1 THIENOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-20080199459-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-08-21 US disclosed
US-20080199459-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-08-21 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
CN-1066448-C Amide derivatives OTSUKA PHARMA CO LTD (JP) 2001-05-30 CN disclosed
CN-1264703-A Process for synthesizing 5-n-propyl pyrazole-3-ethyl formate HUADONG SCIENCE & ENGINEERING (CN) 2000-08-30 CN disclosed