Toluene

Toluene

SCHEMBL32871

Cc1ccccc1.N=C=O.N=C=O.N=C=O

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.65
TSHR P16473 2/20 0.65
LMNA P02545 2/20 0.65
ALOX12 P18054 1/20 0.65
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
VCP P55072 1/20 0.38
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTOR P42345 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35

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
Toluene SCHEMBL11099704 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL28853719 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL240812 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL29997697 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL28488283 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL1132376 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL57282 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL7745465 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL29088577 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL28174229 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2

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 3850 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119875353-A Modified polyurethane elastomer and application thereof in preparation of foam with bimodal cell structure 苏州申赛新材料有限公司 2025-04-25 CN claimed
CN-119285501-A Polyisocyanate, preparation method and application thereof 中国融通资源开发集团有限公司 2025-01-10 CN claimed
US-20240425709-A1 ULTRAVIOLET-ABSORBING RESIN COMPOSITION, ULTRAVIOLET-ABSORBING RESIN AND PREPARATION METHOD THEREOF PLATINUM OPTICS TECHNOLOGY INC. (TW) 2024-12-26 US claimed
CN-119143959-A Ultraviolet-absorbing resin composition, ultraviolet-absorbing resin, and method for producing same 白金科技股份有限公司 2024-12-17 CN claimed
CN-118834369-A Thermoplastic elastomer containing toluene triisocyanate and preparation method thereof 中国融通资源开发集团有限公司 2024-10-25 CN claimed
CN-118204067-A Lithium adsorbent, preparation method and application 广东邦普循环科技有限公司 2024-06-18 CN claimed
CN-118185452-A Polyurethane antifouling coating based on toluene triisocyanate and preparation method thereof 中国融通资源开发集团有限公司 2024-06-14 CN claimed
EP-4373608-A1 ENVIRONMENTALLY FRIENDLY MICROCAPSULES AND A METHOD FOR THE PRODUCTION THEREOF Follmann GmbH & Co. KG (DE) 2024-05-29 EP claimed
CN-117820171-A Process method for synthesizing toluene triisocyanate by using triamino toluene phosgene 中国融通资源开发集团有限公司 2024-04-05 CN claimed
CN-117751150-A Process for preparing alkoxylated polyphenol mixtures and use of said mixtures 索普瑞玛公司 2024-03-22 CN claimed
WO-1995022576-A1 ADHESION SYSTEM BEAVER MANUFACTURING COMPANY, INC. (US) 1995-08-24 WO claimed
US-5122552-A A curable mixture of an epoxy compound and a polyesterurethane having a carboxy-containing diol as a monomer; automobile finishes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-16 US claimed
US-5122560-A A curable polyesterurethane having a carboxy-containing diol as a monomer; automobile finishes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-16 US claimed
US-5000809-A Laminate thermoformed to form a composite a polyesterurethane and a multifunctional crosslinking agent of an epoxy and an or ganic polyisocyanate E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-19 US claimed
EP-0380108-A2 Polyarylene sulfide resin composition MITSUBISHI RAYON CO., LTD. (JP) 1990-08-01 EP claimed
US-4849262-A Pigment printing pastes and dyeing liquors containing stable dispersions of finely divided solid polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
US-4730045-A POLYISOCYANATE, HYDROXY ALKYL MALEATE, SUBSTITUTED ALKYL ALKYLENEUREA DESOTO, INC. (US) 1988-03-08 US claimed
US-4618635-A RADIATION CURABLE; HIGH TENSILE STRENGTH UNION CARBIDE CORPORATION (US) 1986-10-21 US claimed
EP-0094196-B1 TWO-COMPONENT URETHANE COATING SYSTEM The Lubrizol Corporation (US) 1986-08-27 EP claimed
US-3931117-A Coating powders for protective films based on ε-caprolactam-blocked isocyanates COOK PAINT AND VARNISH COMPANY (US) 1976-01-06 US claimed