SCHEMBL253950

SCHEMBL253950

CC1(CCCBr)OCCO1

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
SCHEMBL1165987 0.93
SCHEMBL9863975 0.91
SCHEMBL9864184 0.91
SCHEMBL10826141 0.91
SCHEMBL499476 0.84
SCHEMBL28088102 0.81
SCHEMBL254457 0.75
SCHEMBL11575260 0.75
SCHEMBL13361696 0.75
SCHEMBL8566999 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997463-B Preparation method of estra-4, 9-diene-3, 17-dione 四川理工学院 2021-05-14 CN claimed
CN-108997463-A A kind of female steroid -4,9- diene -3,17- diketone preparation method 四川理工学院 2018-12-14 CN claimed
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHR¿DINGER, LLC 2024-11-14 US disclosed
CN-118878533-A Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-11-01 CN disclosed
CN-112805001-B Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-07-23 CN disclosed
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
EP-4086254-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2022-11-09 EP disclosed
US-4933339-A PHYTOPATHOGENS ROHM AND HAAS COMPANY (US) 1990-06-12 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed
EP-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
EP-0214793-A1 (2-Cyano-2-arylethyl)pyridines, their preparation and use as fungicides ROHM AND HAAS COMPANY (US) 1987-03-18 EP disclosed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 EP disclosed
US-4028386-A INSECTICIDES ROUSSEL-UCLAF (FR) 1977-06-07 US disclosed