SCHEMBL2641676

SCHEMBL2641676

O=C=NCC1(CC2(CN=C=O)CCCCC2)CCCCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL48705 0.84
Cyclohexane SCHEMBL5450052 0.84
Cyclohexane SCHEMBL5504152 0.84 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL1758459 0.83 ALDH1A1 (0.32) ALDH1A1CYP3A4
Cyclohexane SCHEMBL5495897 0.83 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL4209010 0.83
SCHEMBL11372109 0.81 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL10613754 0.81
Alcohol SCHEMBL8653858 0.81 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL7650373 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 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217981-A Process for preparing low-viscosity NCO-containing prepolymers having a low residual monomer content 赢创运营有限公司 2020-06-02 CN claimed
US-20200165374-A1 PROCESS FOR PRODUCING LOW-VISCOSITY NCO-CONTAINING PREPOLYMERS HAVING A LOW RESIDUAL MONOMER CONTENT EVONIK OPERATIONS GMBH (DE) 2020-05-28 US claimed
EP-3656798-A1 LOW VISCOSITY NCO PREPOLYMERS WITH LOW REST MONOMER CONTENT Evonik Operations GmbH (DE) 2020-05-27 EP claimed
JP-4792027-B2 2011-10-12 JP claimed
US-7781538-B2 Tin-free, high-melting reaction products of carbonyl-hydrogenated ketone aldehyde resins, hydrogenated ketone resins, and carbonyl-hydrogenated and core-hydrogenated ketone aldehyde resins based on aromatic ketones and polyisocynates EVONIK DEGUSSA GMBH (DE) 2010-08-24 US claimed
EP-1740634-B1 POLYMER COMPOSITIONS OF CARBONYL-HYDRATED KETONE-ALDEHYDE RESINS AND POLYISOCYANATES IN REACTIVE SOLVENTS EVONIK DEGUSSA GMBH (DE) 2010-08-11 EP claimed
US-7759424-B2 Radiation curable modified, unsaturated, amorphous polyesters EVONIK DEGUSSA GMBH (DE) 2010-07-20 US claimed
US-7700664-B2 Polymer compositions of carbonyl-hydrated ketone-aldehyde resins and polyisocyanates in reactive solvents DEGUSSA AG (DE) 2010-04-20 US claimed
US-20090054546-A1 RESINS FOR UNIVERSAL USE EVONIK DEGUSSA GMBH (DE) 2009-02-26 US claimed
US-20090035595-A1 RADIATION CURABLE MODIFIED, UNSATURATED, AMORPHOUS POLYESTERS DEGUSSA GMBH (DE) 2009-02-05 US claimed
US-20030212238-A1 Process for the solvent-free, continuous preparation of polyureas DEGUSSA AG (DE) 2003-11-13 US claimed
US-20030212206-A1 Polymeric composition prepared from polymers and thermosets DEGUSSA AG (DE) 2003-11-13 US claimed
US-20030212207-A1 Process for the solvent-free continuous preparation of a polymeric composition prepared from polymers and thermosets DE GUSSA AG (DE) 2003-11-13 US claimed
US-20030212205-A1 Powder coatings based on thermoset-modified polymers and polyesters DEGUSSA AG (DE) 2003-11-13 US claimed
EP-1361234-A1 Process for the solventless, continuous preparation of polyureas Degussa AG (DE) 2003-11-12 EP claimed
EP-1361237-A1 Preparation of polymers and thermosets Degussa AG (DE) 2003-11-12 EP claimed
US-20030135007-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-07-17 US claimed
US-20030109665-A1 Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use DEGUSSA AG (DE) 2003-06-12 US claimed
EP-1318160-A1 Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use Degussa AG (DE) 2003-06-11 EP claimed
EP-1318152-A2 Catalysts and process for preparing polyisocyanates containing isocyanurate groups and their use Degussa AG (DE) 2003-06-11 EP claimed