SCHEMBL3407573

SCHEMBL3407573

O=C=NCc1ccc(N=C=O)cc1N=C=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
TRPA1 O75762 1/20 0.58
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL374838 0.83 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL10944230 0.82 CYP3A4 (0.41) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL5669652 0.82 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL78982 0.81 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29475262 0.81 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL314237 0.81 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29376372 0.81 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL4245039 0.81 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL10968102 0.81 CYP3A4 (0.47) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL10965734 0.81 CYP3A4 (0.47) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585187-B Adhesive and application thereof 科思创知识产权两合公司 2023-02-21 CN disclosed
CN-115252468-A Network-structured resident type continuous oil control cosmetic composition 上海永熙信息科技有限公司 2022-11-01 CN disclosed
EP-3019324-B1 METHOD FOR PRODUCING THERMOPLASTIC MOLDING COMPOUNDS, AND THERMOPLASTIC MOLDING COMPOUNDS SO PRODUCED INEOS STYROLUTION GROUP GMBH (DE) 2017-12-20 EP disclosed
EP-3169728-A1 THERMOPLASTIC MOULDING COMPOUND CONTAINING MICROSPHERES HAVING SOLID MATERIAL PARTICLES INEOS Styrolution Group GmbH (DE) 2017-05-24 EP disclosed
WO-2016009048-A1 THERMOPLASTIC MOULDING COMPOUND CONTAINING MICROSPHERES HAVING SOLID MATERIAL PARTICLES STYROLUTION GROUP GMBH (DE) 2016-01-21 WO disclosed
EP-2254743-B1 DEGASSING-EXTRUDER FOR EXTRUDING POLYMER MATERIAL STYROLUTION GROUP GMBH (DE) 2014-06-25 EP disclosed
CN-1978536-B Novel material forming supramolecular structures, process and uses NAT STARCH CHEM INVEST 2012-11-14 CN disclosed
EP-2254743-A2 DEGASSING EXTRUDER FOR EXTRUDING MOULDING COMPOUNDS& xA; BASF SE (DE) 2010-12-01 EP disclosed
WO-2009103714-A2 DEVICE FOR EXTRUDING MOULDING COMPOUNDS BASF SE (DE) 2009-08-27 WO disclosed
EP-1400337-B1 Apparatus and method for extrusion of thermoplastics and use thereof BASF AG (DE) 2007-08-22 EP disclosed
EP-0238149-A2 Bituminous composition and use thereof as cold-applicable self-adhesive compound SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-09-23 EP disclosed
EP-0201874-A2 Thermoplastic moulding compositions BASF Aktiengesellschaft (DE) 1986-11-20 EP disclosed
EP-0176896-A2 Thermoplastic moulding masses BASF Aktiengesellschaft (DE) 1986-04-09 EP disclosed
EP-0176061-A2 Thermoplastic moulding compositions BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed
EP-0176060-A2 Thermoplastic moulding compositions BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed
EP-0046862-B1 PROCESS FOR THE PRODUCTION OF BRANCHED BLOCK COPOLYMERS AND THEIR USE BASF Aktiengesellschaft (DE) 1985-03-27 EP disclosed
EP-0046862-A1 Process for the production of branched block copolymers and their use BASF Aktiengesellschaft (DE) 1982-03-10 EP disclosed
US-4167545-A VINYLAROMATICS AND CONJUGATED DIENES BASF AKTIENGESELLSCHAFT (DE) 1979-09-11 US disclosed
US-4086298-A A MONOVINYL-AROMATIC COMPOUND AND A CONJUGATED DIENE; IMPACT RESISTANT BASF AKTIENGESELLSCHAFT (DT) 1978-04-25 US disclosed
US-3933701-A High resilience polyurethane foam OLIN CORPORATION (US) 1976-01-20 US disclosed