SCHEMBL957439

SCHEMBL957439

CC(N=C=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SHBG P04278 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
EPHX1 P07099 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 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
SCHEMBL1149018 1.00 ALDH1A1 (0.39) ALDH1A1SHBGCA12CA1CA2
SCHEMBL957438 1.00 ALDH1A1 (0.39) ALDH1A1SHBGCA12CA1CA2
SCHEMBL49907 0.94 ALDH1A1 (0.35) ALDH1A1SHBGCA12CA1CA2
SCHEMBL11052080 0.88
SCHEMBL533619 0.88
SCHEMBL29013124 0.87 ALDH1A1 (0.31) ALDH1A1EPHX1
SCHEMBL140318 0.84
SCHEMBL16488411 0.82 POLB (0.46) ALDH1A1CA12CA1CA2MMP2
SCHEMBL16289798 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL29072986 0.78 ALDH1A1 (0.37) ALDH1A1SHBGCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109770905-A A kind of offline Exhaled nitric oxide detection device 长兴县人民医院 2019-05-21 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
CN-120082316-A High-heat-conductivity polyurethane structural adhesive and preparation method thereof 武汉工程大学 2025-06-03 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
EP-4396258-A1 BIO-BASED RESIN, CURABLE COMPOSITION AND POLYURETHANE BASED THEREON, AND RELATED METHODS Ingevity South Carolina, LLC (US) 2024-07-10 EP disclosed
CN-118302884-A Nonaqueous electrolyte for power storage device and power storage device 松下知识产权经营株式会社 2024-07-05 CN disclosed
CN-114478987-B Polyurethane, method for producing polyurethane, conductive paste composition, conductive wiring, and method for producing conductive wiring 信越化学工业株式会社 2024-07-02 CN disclosed
CN-112740837-B Flexible wiring substrate, stretchable wiring substrate, and electronic device obtained therefrom 三井化学株式会社 2024-06-07 CN disclosed
EP-2059502-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-05-20 EP disclosed
WO-2009021965-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-19 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO disclosed
CN-1536444-A Functional polymer ϣ 2004-10-13 CN disclosed
CN-1514302-A Improved photo anticorrosion agent 希普雷公司 2004-07-21 CN disclosed
EP-0398097-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF TRIAZOLONE DERIVATIVES BAYER AG (DE) 1993-02-24 EP disclosed
US-5118830-A INTERMEDIATES FOR THE PREPARATION OF TRIAZOLONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-5041551-A Reacting iso(thio)cyanate with aminoguanidine, condensing BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed