SCHEMBL2226243

SCHEMBL2226243

[CH2]C(C)(C)CO[O]

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
SCHEMBL330656 0.69
SCHEMBL7285343 0.69
SCHEMBL10907761 0.67
SCHEMBL10906814 0.67
SCHEMBL21526273 0.67
SCHEMBL4115382 0.65
SCHEMBL7286273 0.65
SCHEMBL10904792 0.65
SCHEMBL10907759 0.65
SCHEMBL1596086 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019004922-A1 COATING SYSTEM, METHOD OF APPLICATION AND KIT FOR USE Bona AB (SE) 2019-01-03 WO claimed
EP-0780397-B1 New 17alpha-Cyanomethylestra-4,9-dien-derivatives, a process for the production of these compounds and pharmaceutical compositions containing them JENAPHARM GMBH (DE) 1998-06-10 EP claimed
US-5350878-A Telomers with ester groups, heat and chemical resistance DOW CORNING CORPORATION (US) 1994-09-27 US claimed
US-4346101-A NON-SEDATING THE UPJOHN COMPANY (US) 1982-08-24 US claimed
US-4293561-A ANTICONVULSANT ANTISECRETORY AGENTS SYNTEX (U.S.A.) INC. (US) 1981-10-06 US claimed
US-4277486-A ANTICONVULSANTS, ANTISECRETORY AGENTS, SPERMATOCIDES SYNTEX (U.S.A.) INC. (US) 1981-07-07 US claimed
WO-2019004922-A1 COATING SYSTEM, METHOD OF APPLICATION AND KIT FOR USE Bona AB (SE) 2019-01-03 WO disclosed
US-20130059952-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS BASF SE (DE) 2013-03-07 US disclosed
EP-2523964-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS BASF SE (DE) 2012-11-21 EP disclosed
WO-2011086114-A1 PHOSPHO-SUBSTITUTED ALKOXYAMINE COMPOUNDS BASF SE (DE) 2011-07-21 WO disclosed
US-5866559-A 17α-cyanomethylestra-4,9-dien derivatives and pharmaceutical compositions containing same JENAPHARM GMBH (DE) 1999-02-02 US disclosed
US-5508403-A ENHANCES EFFECTS OF ANTITUMOR AGENTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-04-16 US disclosed
US-5493049-A TELOMERS DOW CORNING CORPORATION (US) 1996-02-20 US disclosed
US-4150153-A ANTICONVULSANTS, GASTRIC ANTISECRETORY AGENTS SYNTEX (U.S.A.) INC. (US) 1979-04-17 US disclosed
US-4080334-A Intermediates in the total synthesis employing substituted isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 1978-03-21 US disclosed
US-4044004-A Total steroid synthesis employing substituted isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 1977-08-23 US disclosed
US-3989724-A Tetrahydropyran-2-ols HOFFMANN-LA ROCHE INC. (US) 1976-11-02 US disclosed
US-3985771-A Total steroid synthesis employing substituted isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 1976-10-12 US disclosed
US-3984427-A Preparation of vinyl lactones and corresponding Mannich bases HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US disclosed
US-3984428-A Isoxazolyl-substituted perhydrobenzindenes HOFFMANN-LA ROCHE INC. (US) 1976-10-05 US disclosed