SCHEMBL780083

SCHEMBL780083

CC[C](C)OC

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
SCHEMBL2042087 0.72 ALDH1A1 (0.38)
SCHEMBL3322744 0.72 TSHR (0.39)
SCHEMBL11424212 0.72
SCHEMBL4269615 0.72
SCHEMBL11579532 0.69
SCHEMBL6432913 0.69
SCHEMBL20243535 0.67
SCHEMBL8870491 0.67
SCHEMBL4272897 0.67
SCHEMBL1094115 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 US claimed
EP-3083610-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP claimed
US-20160304492-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 US claimed
WO-2015091420-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES AS ADRENORECEPTOR ALPHA 2C ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO claimed
CN-1642600-A 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE (US) 2005-07-20 CN claimed
CN-113906018-B Bradykinin B2 receptor antagonists 法瓦里斯有限责任公司 2024-04-12 CN disclosed
CN-111094255-B Compounds having cyclic structures 第一三共株式会社 2023-10-03 CN disclosed
EP-3983402-B1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2023-08-16 EP disclosed
EP-3956326-B1 (R)-3-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2023-06-28 EP disclosed
US-20220289730-A1 (R)-3-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)MORPHOLINE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2022-09-15 US disclosed
US-20220135542-A1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2022-05-05 US disclosed
EP-3983402-A1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES Pharvaris GmbH (CH) 2022-04-20 EP disclosed
US-5064818-A PESTICIDAL PYRIMIDINYL (THIONO) (THIO)-PHOSPHORIC (PHOSPHONIC)ACID (AMIDE) ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed
EP-0395968-A1 (Thiono) (thio)pyrimidyl-phosphonyl (phosphonic) ester (amid) BAYER AG (DE) 1990-11-07 EP disclosed
US-4867784-A Cyclohexenone derivatives, preparation thereof and use thereof as herbicidal and plant growth regulator agents BASF AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
US-4593090-A Containing perhydrofuran or pyran ring structure GOGO KIMURA (JP) 1986-06-03 US disclosed
US-4496745-A Epoxycarbacyclin derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1985-01-29 US disclosed
EP-0063905-A1 Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-03 EP disclosed
US-4228069-A FOAMING AGENTS FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1980-10-14 US disclosed