SCHEMBL101996

SCHEMBL101996

C=C1[CH]CCC1

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
SCHEMBL100581 0.90
SCHEMBL104277 0.88
SCHEMBL9498346 0.69
SCHEMBL204351 0.69
SCHEMBL5898285 0.69
SCHEMBL9499463 0.65
SCHEMBL8763215 0.61
SCHEMBL67399 0.60
SCHEMBL602295 0.60
SCHEMBL9335399 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283946-B 5- (N-substituted indole-5-yl) isoxazole-3-formic acid derivative and synthetic method and application thereof 武汉工程大学 2024-05-07 CN claimed
CN-117886839-A Organic semiconductor luminescent compound and application thereof 冠能光电材料(深圳)有限责任公司 2024-04-16 CN claimed
CN-117886814-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-16 CN claimed
CN-116804023-A Organic semiconductor luminescent compound and application thereof 冠能光电材料(深圳)有限责任公司 2023-09-26 CN claimed
CN-116283946-A 5- (N-substituted indole-5-yl) isoxazole-3-formic acid derivative and synthetic method and application thereof 武汉工程大学 2023-06-23 CN claimed
CN-115232109-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业有限公司 2022-10-25 CN claimed
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN claimed
EP-3347097-B1 SUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF THE KINASES JAK, FLT3 AND AURORA SUNSHINE LAKE PHARMA CO LTD (CN) 2021-02-24 EP claimed
US-9765091-B2 Tetrahydropyrazolo [3,4-b] azepine derivatives and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2017-09-19 US claimed
US-20170258786-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-14 US claimed
WO-2006093823-A1 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA, INC. (US) 2006-09-08 WO claimed
US-20060154924-A1 Fungicidal mixtures based on morpholine or piperidine derivatives and oxime ether derivatives SCHELBERGER KLAUS 2006-07-13 US claimed
US-7026315-B1 Fungicide mixtures which are based on derivatives of morpholine or piperidine and derivatives oxime ether BASF AKTIENGESELLSCHAFT (DE) 2006-04-11 US claimed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US claimed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP claimed
US-20040010010-A1 Melanocortin receptor ligands PROCTER & GAMBLE COMPANY, THE 2004-01-15 US claimed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US claimed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO claimed
US-6531498-B1 Antiallergens, etc MERCK PATENTGESELLSCHAFT (DE) 2003-03-11 US claimed
US-6376493-B1 SELECTIVE INHIBITION OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR; USEFUL IN TREATING OSTEOPOROSIS, TUMORS, AUTOIMMUNE DISEASES, RHEUMATIC DISEASES, AND ASTHMA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-04-23 US claimed