SCHEMBL6903686

SCHEMBL6903686

CC1CC(C)(C)CC(N=C=O)C1CN=C=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8664122 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL364965 0.74 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL27673767 0.67 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL20888313 0.67 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL27401653 0.67 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL9420081 0.67 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL7753405 0.66 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL2446309 0.65 ALDH1A1 (0.49) ALDH1A1CYP3A4
SCHEMBL1719642 0.65 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL2521508 0.64

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137684-B1 IMPACT RESISTANT POLYURETHANE AND METHOD OF MANUFACTURE THEREOF SIMULA INC (US) 2004-08-18 EP claimed
EP-0043073-B1 PHOTOCURABLE POLYURETHANE FILM COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-16 EP claimed
US-4337130-A COMPRISING AN ALIPHATIC DIISOCYANATE, POLY (HEXAMETHYLENE ISOPHTHALATE) GLYCOL, ACRYLIC ESTER, PHOTOINITIATOR AND ANTI-OXIDANT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-29 US claimed
EP-0043073-A2 Photocurable polyurethane film coatings E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-06 EP claimed
US-4151152-A POLYESTERURETHANES, SHELF LIFE VEBA-CHEMIE AKTIENGESELLSCHAFT (DE) 1979-04-24 US claimed
EP-0255013-A2 Primer layer for surface finishing Henkel Kommanditgesellschaft auf Aktien (DE) 1988-02-03 EP disclosed
EP-0233490-A2 Method for increasing the molecular weight of polyamides and polyesteramides THE DOW CHEMICAL COMPANY (US) 1987-08-26 EP disclosed
US-4672094-A MELT CLENDING WITH ORGANIC DIISOCYANATE; CHAIN EXTENSION THE DOW CHEMICAL COMPANY (US) 1987-06-09 US disclosed
EP-0043073-B1 PHOTOCURABLE POLYURETHANE FILM COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-16 EP disclosed
US-4409167-A BLENDS COUPLED WITH AN ORGANIC DIISOCYANATE E. I. DU PONT DE NEMOURS & CO, (US) 1983-10-11 US disclosed
EP-0056293-A2 Process for extruding a modified high molecular weight poly(ethylene terephthalate) resin E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-21 EP disclosed
US-4337130-A COMPRISING AN ALIPHATIC DIISOCYANATE, POLY (HEXAMETHYLENE ISOPHTHALATE) GLYCOL, ACRYLIC ESTER, PHOTOINITIATOR AND ANTI-OXIDANT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-29 US disclosed
EP-0043073-A2 Photocurable polyurethane film coatings E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-06 EP disclosed
US-4282344-A METHYLENEDIANILINE OR ITS SODIUM OR LITIUM SALT IN AN INERT ORGANIC LIQUID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-04 US disclosed
EP-0010967-A1 Compositions useful for curing polyurethane prepolymers, a process for their preparation and curable compositions prepared from them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-05-14 EP disclosed
US-4183836-A TERTIARY AMINE CHAIN EXTENDED POLYMER COATING E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-01-15 US disclosed
US-4009307-A Polyurea-urethane coatings PPG INDUSTRIES, INC. (US) 1977-02-22 US disclosed