SCHEMBL8974251

SCHEMBL8974251

CC1CC(=O)OC(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL14459950 0.76 ALDH1A1 (0.36) SMN1; SMN2CRBNALDH1A1LMNACYP3A4
SCHEMBL11931948 0.76 ALDH1A1 (0.36) SMN1; SMN2CRBNALDH1A1LMNACYP3A4
SCHEMBL17381142 0.76 ALDH1A1 (0.36) SMN1; SMN2CRBNALDH1A1LMNACYP3A4
SCHEMBL10355531 0.72 SMN1; SMN2 (0.38) SMN1; SMN2CA1CA9
SCHEMBL5708446 0.71 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1LMNA
SCHEMBL8609740 0.71 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1LMNA
SCHEMBL13697409 0.68 SMN1; SMN2 (0.37) SMN1; SMN2CRBNALDH1A1LMNACYP3A4
SCHEMBL13697404 0.68 SMN1; SMN2 (0.37) SMN1; SMN2CRBNALDH1A1LMNACYP3A4
SCHEMBL10431444 0.68 SMN1; SMN2 (0.37) SMN1; SMN2CRBNALDH1A1LMNACYP3A4
SCHEMBL3137615 0.67 ALDH1A1 (0.31) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577449-B1 Tris-(acetoacetoxy-2-ethyl)-amine and its water soluble salts, process for their preparation, use as formaldehyde scavengers and process for the finishing of textiles HOECHST FRANCE (FR) 1996-03-13 EP claimed
JP-6065167-A None JP disclosed
EP-3783048-B1 A METHOD FOR APPLYING A FOAM COMPOSITION USING SPRAY FOAM EQUIPMENT HOLCIM TECHNOLOGY LTD (CH) 2023-05-10 EP disclosed
US-20230097878-A1 FOAM COMPOSITIONS AMRIZE TECHNOLOGY SWITZERLAND LLC (CH) 2023-03-30 US disclosed
US-11525029-B2 Foam compositions HOLCIM TECHNOLOGY LTD (CH) 2022-12-13 US disclosed
EP-3783048-A1 A METHOD FOR APPLYING A FOAM COMPOSITION USING SPRAY FOAM EQUIPMENT Firestone Building Products Company, LLC (US) 2021-02-24 EP disclosed
CN-112159358-A Preparation method of oxalagogri intermediate 上海朴颐化学科技有限公司 2021-01-01 CN disclosed
US-20200299456-A1 FOAM COMPOSITIONS AMRIZE TECHNOLOGY SWITZERLAND LLC (CH) 2020-09-24 US disclosed
EP-3154929-B1 METHOD OF PREPARING A FOAM FIRESTONE BUILDING PROD CO LLC (US) 2020-09-16 EP disclosed
US-10696784-B2 Foam compositions FIRESTONE BUILDING PRODUCTS COMPANY, LLC (US) 2020-06-30 US disclosed
US-5332785-A Liquid coating composition comprising acetoacetate modified epoxy resin and blocked polyamine HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-26 US disclosed
JP-H0665167-A TRIS(2-ACETOACETOXY ETHYL)-AMINE, ITS HYDROSOLUBLE SALT, ITS PREPARATION, USE THEREOF AS FORMALDEHYDE COLLECTOR AND FINISHING PROCESS FOR FABRIC SOC FR HOECHST 1994-03-08 JP disclosed
EP-0564883-A1 Liquid coating composition HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 EP disclosed
US-4271187-A Substituted phenyl alanine antihypertensive agents MERCK & CO., INC. (US) 1981-06-02 US disclosed
US-4206216-A Antihypertensive N-heterocyclicalanines MERCK & CO., INC. (US) 1980-06-03 US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 US disclosed
US-4153715-A Indolyl amino acids useful as antihypertensive agents MERCK & CO., INC. (US) 1979-05-08 US disclosed
US-4065572-A Amino acids and esters thereof useful as antihypertensive agents MERCK & CO., INC. (US) 1977-12-27 US disclosed