SCHEMBL6232811

SCHEMBL6232811

N=C=O.O=C=NC(N=C=O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30303208 1.00 ALDH1A1 (0.38) ALDH1A1
SCHEMBL33116 0.93 ALDH1A1 (0.42) ALDH1A1
Ammonia Solution, Strong SCHEMBL11196537 0.91 ALDH1A1 (0.41) ALDH1A1
Water SCHEMBL5680139 0.91 ALDH1A1 (0.41) ALDH1A1
SCHEMBL28176806 0.91 ALDH1A1 (0.41) ALDH1A1
SCHEMBL28300286 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10508611 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL29220071 0.79 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2895430 0.79 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6818092 0.77 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900245-B1 EXTRUDABLE THERMOPLASTIC ELASTOMERIC UREA-EXTENDED POLYURETHANE SIMULA INC (US) 2005-04-20 EP disclosed
EP-1131365-B1 EXTRUDABLE THERMOPLASTIC ELASTOMERIC UREA-EXTENDED POLYURETHANE SIMULA INC (US) 2003-11-12 EP disclosed
US-6258917-B1 DIAMINE CURING AGENT SIMULA, INC. 2001-07-10 US disclosed
EP-0900245-A4 EXTRUDABLE THERMOPLASTIC ELASTOMERIC UREA-EXTENDED POLYURETHANE SIMULA INC (US) 1999-08-04 EP disclosed
EP-0900245-A1 EXTRUDABLE THERMOPLASTIC ELASTOMERIC UREA-EXTENDED POLYURETHANE SIMULA INC. (US) 1999-03-10 EP disclosed
US-5811506-A DIAMINE CURING AGENTS; HIGH TEMPERATURE RESISTANCE; VEHICLE AIR BAGS SIMULA INC. (US) 1998-09-22 US disclosed
WO-1997044373-A1 EXTRUDABLE THERMOPLASTIC ELASTOMERIC UREA-EXTENDED POLYURETHANE SIMULA, INC. (US) 1997-11-27 WO disclosed