SCHEMBL4650190

SCHEMBL4650190

CC1CC(N=C=O)CC(C)(CN=C=O)C1C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL31344447 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL27975273 0.76 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL27401655 0.76 ALDH1A1 (0.53) ALDH1A1CYP3A4
SCHEMBL3714270 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL23837215 0.73 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL11041976 0.73 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL8469859 0.72 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL27401653 0.69 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL11573881 0.69 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL55425 0.68 ALDH1A1 (0.36) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963395-A1 IMPROVED WEATHER RESISTANT POLYURETHANE ELASTOMER Bayer MaterialScience LLC (US) 2008-09-03 EP claimed
WO-2007078725-A1 IMPROVED WEATHER RESISTANT POLYURETHANE ELASTOMER BAYER MATERIALSCIENCE LLC (US) 2007-07-12 WO claimed
US-8846777-B2 Thiol-vinyl and thiol-yne systems for shape memory polymers THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-09-30 US disclosed
US-8846777-B2 Thiol-vinyl and thiol-yne systems for shape memory polymers THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-09-30 US disclosed
US-20110144227-A1 THIOL-VINYL AND THIOL-YNE SYSTEMS FOR SHAPE MEMORY POLYMERS NATIONAL SCIENCE FOUNDATION 2011-06-16 US disclosed
US-20110144227-A1 THIOL-VINYL AND THIOL-YNE SYSTEMS FOR SHAPE MEMORY POLYMERS NATIONAL SCIENCE FOUNDATION 2011-06-16 US disclosed
EP-0231803-B1 ELECTRODEPOSITABLE PREPARATIONS WITH A LOW ORGANIC SOLVENTS CONTENT, AND METHOD OF MAKING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-11 EP disclosed
EP-0231803-A2 Electrodepositable preparations with a low organic solvents content, and method of making them HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-12 EP disclosed
US-4221902-A CROSSLINKED, WEAR LAYER COATINGS ARMSTRONG CORK COMPANY (US) 1980-09-09 US disclosed