SCHEMBL21089

SCHEMBL21089

O=C=NCc1ccc(CN=C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.44
TRPA1 O75762 2/20 0.44
CYP3A4 P08684 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
Water SCHEMBL29040332 0.97 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
Water SCHEMBL14972874 0.97 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL22471901 0.97 MIF (0.43) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL5466297 0.92 CYP3A4 (0.54) MIFTRPA1CYP3A4TSHRALDH1A1
Cyclohexane SCHEMBL28302863 0.92 MIF (0.40) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL31094964 0.92 MIF (0.40) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL24833766 0.90 MIF (0.39) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL436823 0.90 IDO1 (0.42) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL1456990 0.88 CYP2A6 (0.41) MIFTRPA1CYP3A4TSHRALDH1A1
SCHEMBL1647922 0.88 PYCR1 (0.39) MIFTRPA1CYP3A4TSHRALDH1A1

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

Appears in 17066 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104690-A1 AQUEOUS DISPERSION OF A CROSSLINKING COMPONENT FOR CATIONIC PAINT BINDERS ALLNEX AUSTRIA GMBH (AT) 2026-05-21 WO claimed
CN-117447357-B Preparation method of isocyanate 万华化学集团股份有限公司 2026-05-15 CN claimed
CN-117203185-B Diisocyanate stabilizer, use thereof and diisocyanate composition 巴斯夫欧洲公司 2026-05-12 CN claimed
US-12606692-B2 Spectacle lens HOYA LENS THAILAND LTD. (TH) 2026-04-21 US claimed
CN-121574342-A Benzenedimethylene diisocyanate composition, preparation method and application thereof 万华化学集团股份有限公司 2026-02-27 CN claimed
US-12559453-B2 Sulfonic acid-modified polyisocyanate and preparation method therefor WANHUA CHEMICAL GROUP CO., LTD. (CN) 2026-02-24 US claimed
US-12509419-B2 Process for the distillation of isocyanates COVESTRO DEUTSCHLAND AG (DE) 2025-12-30 US claimed
EP-4144780-B1 SULFONIC ACID-MODIFIED POLYISOCYANATE AND PREPARATION METHOD THEREFOR WANHUA CHEMICAL GROUP CO LTD (CN) 2025-12-24 EP claimed
EP-4662272-A1 PROCESS FOR RECYCLING POLYTHIOURETHANES, THIO COMPOUNDS, AND USE THEREOF Bruno Bock GmbH (DE) 2025-12-17 EP claimed
EP-4638625-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2025-10-29 EP claimed
US-4328325-A Process for the preparation of polymers containing urethane groups WACKER CHEMIE GMBH (DE) 1982-05-04 US claimed
US-4322327-A Slow-curing water-curable urethane prepolymer composition MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1982-03-30 US claimed
US-4238592-A Method for production of duroplastic, single-component polyurethanes CHEMISCHE WERKE HULS AG (DE) 1980-12-09 US claimed
US-4222801-A CHAIN EXTENSION, GRAFT POLYMERIZATION GOLD MARVIN H 1980-09-16 US claimed
US-4096129-A Glutarate-containing polyesterpolyols, methods of preparation and polyurethane compositions derived therefrom FABRIDYNE, INC. (US) 1978-06-20 US claimed
US-4028306-A COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-07 US claimed
US-3984493-A NON-CRYSTALLINE, ELASTICITY KAO SOAP CO., LTD. (JA) 1976-10-05 US claimed
US-3963681-A POLYETHERURETHANE COPOLYMERS BRIDGESTONE TIRE COMPANY LIMITED (JA) 1976-06-15 US claimed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed
US-3933756-A Process of preparation of synthetic resins by reacting a cross-linked isocyanate polyaddition product with low molecular weight polyisocyanate followed by reaction with an amino alkyl silane BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US claimed