SCHEMBL644833

SCHEMBL644833

Nc1[c]ccc(N)c1

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
Hydrochloric Acid SCHEMBL9847456 0.97 CYP3A4 (0.36)
Hydrochloric Acid SCHEMBL4625306 0.97
SCHEMBL2585792 0.74 MAOA (0.56)
SCHEMBL28849530 0.72 ALDH1A1 (0.36)
SCHEMBL27588635 0.72 TDP1 (0.50)
SCHEMBL1029479 0.72
SCHEMBL20051 0.72
SCHEMBL411556 0.72
SCHEMBL689287 0.72
SCHEMBL1029120 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN claimed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
US-20210169846-A1 SYNTHESIS OF NOVEL XYLOSE FREE OCCIDIOFUNGIN ANALOGUES AND METHODS OF USING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2019195678-A1 SYNTHESIS OF NOVEL XYLOSE FREE OCCIDIOFUNGIN ANALOGUES AND METHODS OF USING THEM THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-10-10 WO claimed
CN-106365351-B A kind of sewage purifier and its purification method based on chemical neutralisation and nanofiltration technique 徐州筱翔知识产权服务有限公司 2019-06-21 CN claimed
US-10208031-B2 Photocrosslinkable materials comprising alicyclic group ROLIC AG (CH) 2019-02-19 US claimed
CN-107913580-A A kind of application of polyimides in gas separation 中国科学院长春应用化学研究所 2018-04-17 CN claimed
CN-104145212-B Composition for forming liquid crystal alighment film and liquid crystal display element 株式会社壮骥 2017-04-19 CN claimed
CN-106365351-A Sewage purification device and purification method based on chemical neutralization method and nanofiltration technology 徐州工程学院 2017-02-01 CN claimed
EP-0591373-B1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD OREAL (FR) 1996-05-22 EP claimed
EP-0532577-B1 FUNCTIONALIZED TRIFLUOROVINYL ETHERS AND POLYMERS THEREFROM DU PONT (US) 1995-01-11 EP claimed
EP-0393074-A1 NEW PYRROLIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1990-10-24 EP claimed
WO-1989003824-A1 NEW PYRROLIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-05-05 WO claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
US-4235773-A Trisazo dyestuffs containing a naphtholamino sulfonic acid component and a phenylcarbonylamino-phenyl component BAYER AKTIENGESELLSCHAFT (DE) 1980-11-25 US claimed
US-4212802-A GRAY SHADES SANDOZ LTD. (CH) 1980-07-15 US claimed
EP-0007738-A1 Process for producing 2-amino-4-acylaminophenyl ether and 2,4-diaminophenyl ether SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-02-06 EP claimed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 US claimed