SCHEMBL150431

SCHEMBL150431

CC1CCC(N=C=O)CC1.O=C=NC1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
EPHX1 P07099 2/20 0.46
HIF1A Q16665 1/20 0.46
CYP3A4 P08684 1/20 0.33
APLNR P35414 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
SCHEMBL20782935 0.91 ALDH1A1 (0.60) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL1493050 0.91 ALDH1A1 (0.56) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL1992984 0.91 ALDH1A1 (0.56) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL24469385 0.89 ALDH1A1 (0.70) ALDH1A1EPHX1HIF1ACYP3A4
SCHEMBL1164134 0.86 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL15492354 0.86 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL19645458 0.86 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL13174777 0.86 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL12338087 0.86 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL8620 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024011725-A1 THERMOPLASTIC ELASTOMER HAVING EXCELLENT RESILIENCE PROPERTIES AND HIGH STRENGTH AND PREPARATION METHOD THEREFOR 中国科学院宁波材料技术与工程研究所 2024-01-18 WO claimed
US-8025771-B2 Papermaking felt ICHIKAWA CO., LTD. (JP) 2011-09-27 US claimed
EP-1630191-B1 Process for the preparation of particulate polyurea by spray drying RHEIN CHEMIE RHEINAU GMBH (DE) 2009-01-21 EP claimed
EP-0259233-B1 PROCESS FOR THE PREPARATION OF POLYISOCYANATES WITH A BIURET STRUCTURE RHONE-POULENC CHIMIE (FR) 1991-09-25 EP claimed
WO-2024011725-A1 THERMOPLASTIC ELASTOMER HAVING EXCELLENT RESILIENCE PROPERTIES AND HIGH STRENGTH AND PREPARATION METHOD THEREFOR 中国科学院宁波材料技术与工程研究所 2024-01-18 WO disclosed
WO-2023197508-A1 SUPRAMOLECULAR HOT-MELT ADHESIVE AND PREPARATION METHOD THEREFOR 中国科学院宁波材料技术与工程研究所 2023-10-19 WO disclosed
US-20180118971-A1 AQUEOUS POLYURETHANE-POLYACRYLATE DISPERSIONS COVESTRO DEUTSCHLAND AG (DE) 2018-05-03 US disclosed
EP-3283540-A1 AQUEOUS POLYURETHANE-POLYACRYLATE DISPERSIONS Covestro Deutschland AG (DE) 2018-02-21 EP disclosed
EP-2731977-B1 AQUEOUS RESIN COMPOSITION COMPRISING A POLYESTER-POLYURETHANE RESIN INCLUDING A DENDRITIC POLYOL COVESTRO DEUTSCHLAND AG (DE) 2017-08-23 EP disclosed
EP-2691431-B1 USE OF AN AQUEOUS PREPARATION FOR THE COATING OF WOOD SURFACES TO ACHIEVE A NATURAL-TOUCH EFFECT COVESTRO DEUTSCHLAND AG (DE) 2017-06-21 EP disclosed
US-9598596-B2 Aqueous preparations having soft-feel properties COVESTRO DEUTSCHLAND AG (DE) 2017-03-21 US disclosed
US-9593256-B2 Low-solvent polyacrylate copolymer dispersions COVESTRO DEUTSCHLAND AG (DE) 2017-03-14 US disclosed
US-6531535-B2 Copolymer obtained by two stage graft polymerization of a hydrophobic monomer having hydroxyl groups to a hydrophobic polymer followed by polymerizing a hydrophilic monomer mixture containing hydroxyl and acid groups in same vessel BAYER AKTIGENSELLSCHAFT (DE) 2003-03-11 US disclosed
US-20020151638-A1 Aqueous copolymers, a process for their preparation and their use in coating compositions MELCHIORS MARTIN (DE) 2002-10-17 US disclosed
US-6399691-B1 BLEND CONTAINING INITIATOR BAYER AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
US-6197874-B1 POLYURETHANE IS RENDERED HYDROPHILIC BY IONIC AND/OR NONIONIC HYDROPHILIC GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-1079015-A2 Oil tone artificial leather sheet Kuraray Co., Ltd. (JP) 2001-02-28 EP disclosed
EP-1024184-A1 Aqueous coating composition, process for production and use thereof Bayer Aktiengesellschaft (DE) 2000-08-02 EP disclosed
EP-0947557-A2 Copolymer dispersions, binder combinations based on copolymer dispersions, process for preparing the same and using the same Bayer Aktiengesellschaft (DE) 1999-10-06 EP disclosed
US-5189176-A Storage stability BAYER AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed