SCHEMBL9864501

SCHEMBL9864501

O=C=NC(N=C=O)C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL131131 0.95 ALDH1A1 (0.39) ALDH1A1
SCHEMBL105924 0.92 ALDH1A1 (0.42) ALDH1A1
Cyclohexane SCHEMBL4981074 0.92 ALDH1A1 (0.42) ALDH1A1
SCHEMBL632696 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL151603 0.89 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9580452 0.86 ALDH1A1 (0.38) ALDH1A1
Cyclohexane SCHEMBL2058380 0.86 ALDH1A1 (0.38) ALDH1A1
Propane SCHEMBL28140438 0.84 SHBG (0.41) ALDH1A1
SCHEMBL9842824 0.82
SCHEMBL27859365 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023114-A Method of hydrophilic coating of plastics BIOCOAT INCORPORATED 1991-06-11 US disclosed
US-4959074-A CONTACT LENS; COATING OF MUCOPOLYSACCHARIDE FILM IMMOBILIZED SOLUTION OF ALIPHATIC POLYISOCYANATES BIOCOAT INCORPORATED 1990-09-25 US disclosed
EP-0011211-B1 FLAME RESISTANT FOAM AND PROCESS OF PRODUCING SAME BAYER AG (DE) 1983-03-02 EP disclosed
US-4366288-A POLYCARBODIIMIDES OR POLYURETONE IMINES BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed
US-4342798-A SPAYING A DISPERSION OF POLYURETHANE LATEX, ALUMINUM HYDROXIDE, ALUMINOSILICATE; AND SURFACTANTS BAYER AKTIENGESELLSCHAFT (DE) 1982-08-03 US disclosed
US-4288559-A POLYURETHANE FOAM IMPREGNATED WITH POLYURETHANE LATEX, ALUMINUM HYDROXIDE AND ALUMINUM SILICATE BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed
US-4248978-A A HYDROXYL GROUP CONTAINING POLYMER CROSSLINKABLE WITH A BLOCKED ISOCYANATE CONTAINING A URETONE IMINE GROUP BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed
US-4147714-A VAPOR REACTION OF DIAMINES AND DIISOCYANATES BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4028306-A COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-07 US disclosed
US-3987223-A METHOD OF DRESSING LEATHER BAYER AKTIENGESELLSCHAFT (DT) 1976-10-19 US disclosed
US-3933756-A Process of preparation of synthetic resins by reacting a cross-linked isocyanate polyaddition product with low molecular weight polyisocyanate followed by reaction with an amino alkyl silane BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed
US-3931112-A POLYURETHANE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed