SCHEMBL5422

SCHEMBL5422

CC(C)C1CC1

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
SCHEMBL8677451 1.00 NOS3 (0.33)
SCHEMBL22462729 1.00 NOS3 (0.33)
Hydrochloric Acid SCHEMBL25285379 0.96
Ammonia Solution, Strong SCHEMBL16487287 0.96
SCHEMBL22349300 0.89 MEN1 (0.36)
SCHEMBL21539856 0.89 MEN1 (0.36)
SCHEMBL16191246 0.89 OPRM1 (0.31)
SCHEMBL24210496 0.89 SHBG (0.35)
SCHEMBL7979 0.86 TRPA1 (0.39)
SCHEMBL452781 0.86 TRPA1 (0.39)

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 1765 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4204407-B1 PROCESS GIVAUDAN SA (CH) 2024-06-19 EP claimed
US-20230312506-A1 PROCESS GIVAUDAN SA (CH) 2023-10-05 US claimed
CN-116715700-A CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-09-08 CN claimed
EP-4225471-A1 METHOD FOR CLEANING A GAS MIXTURE BY ADDING OZONE Hitachi Zosen Inova AG (CH) 2023-08-16 EP claimed
EP-4204407-A1 PROCESS Givaudan SA (CH) 2023-07-05 EP claimed
CN-116209659-A Method 奇华顿股份有限公司 2023-06-02 CN claimed
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2023-03-30 US claimed
CN-115141202-A Pyrimidopyrazinone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-04 CN claimed
WO-2022079004-A1 METHOD FOR CLEANING A GAS MIXTURE BY ADDING OZONE HITACHI ZOSEN INOVA AG (CH) 2022-04-21 WO claimed
CN-113366008-A CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2021-09-07 CN claimed
EP-0281842-A1 Aminomethyl-heterocycles BAYER AG (DE) 1988-09-14 EP claimed
EP-0278352-A2 Aminomethyl-tetrahydro-furanes BAYER AG (DE) 1988-08-17 EP claimed
EP-0273265-A1 Substituted N-methylisoxazolidines BAYER AG (DE) 1988-07-06 EP claimed
EP-0272555-A2 Aminomethylisoxazolidines BAYER AG (DE) 1988-06-29 EP claimed
US-4713477-A ANTISECRETORY AGENTS G. D. SEARLE & CO. (US) 1987-12-15 US claimed
EP-0053407-B1 NEW IMIDAZOLYLPHENYL AMIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE, AND INTERMEDIATES OF PREPARATION ISTITUTO DE ANGELI S.p.A. (IT) 1986-12-30 EP claimed
EP-0010317-B1 6-, 1- AND 2-SUBSTITUTED-1-CARBAPEN-2-EM-3-CARBOXYLIC ACIDS, PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING SUCH COMPOUNDS MERCK & CO. INC. (US) 1983-12-21 EP claimed
US-4386099-A GASTROINTESTINAL DISORDERS, ULCERS ISTITUTO DE ANGELI S.P.A. (IT) 1983-05-31 US claimed
US-4372965-A ANTIBIOTICS MERCK & CO., INC. (US) 1983-02-08 US claimed
EP-0010317-A1 6-, 1- and 2-substituted-1-carbapen-2-em-3-carboxylic acids, processes for the preparation of such compounds and pharmaceutical composition comprising such compounds MERCK & CO. INC. (US) 1980-04-30 EP claimed