Toluene Diisocyanate

Toluene Diisocyanate

SCHEMBL637112

Cc1ccc(N=C=O)cc1N=C=O.Cc1ccccc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.80
TRPA1 O75762 1/20 0.80
TDP1 Q9NUW8 4/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
BLM P54132 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.33

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 Diisocyanate SCHEMBL28237070 0.94 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL2054278 0.92 CYP3A4 (0.83) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL27995911 0.90 CYP3A4 (0.86) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL19733056 0.89 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL28174227 0.89 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL29737260 0.89 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL29350148 0.89 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL15384 0.89 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL4905176 0.88 CYP3A4 (0.96) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL6219230 0.88 CYP3A4 (0.96) 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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873423-B2 Moisture curable adhesive compositions KANEKA AMERICAS HOLDING, INC. (US) 2024-01-16 US disclosed
WO-2023192261-A1 MOISTURE CURABLE ADHESIVE COMPOSITIONS KANEKA AMERICAS HOLDING, INC. (US) 2023-10-05 WO disclosed
US-20230265285-A1 Moisture Curable Adhesive Compositions KANEKA AMERICAS HOLDING, INC. (US) 2023-08-24 US disclosed
EP-4105262-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF Kaneka Corporation (JP) 2022-12-21 EP disclosed
EP-3753984-B1 SINGLE-COMPONENT CURABLE COMPOSITION FOR WORKING JOINT KANEKA CORP (JP) 2022-08-24 EP disclosed
US-20220145146-A1 Moisture Curable Adhesive Compositions KANEKA AMERICAS HOLDING, INC. (US) 2022-05-12 US disclosed
EP-3931237-A1 MOISTURE CURABLE ADHESIVE COMPOSITIONS Kaneka Americas Holding, Inc. (US) 2022-01-05 EP disclosed
EP-3753984-A1 SINGLE-COMPONENT CURABLE COMPOSITION FOR WORKING JOINT Kaneka Corporation (JP) 2020-12-23 EP disclosed
EP-2388297-B1 CURABLE COMPOSITION AND CURED OBJECT FORMED THEREFROM KANEKA CORP (JP) 2020-08-19 EP disclosed
US-10640641-B2 Curable coating compositions of silane functional polymers KING INDUSTRIES (US) 2020-05-05 US disclosed
US-20070208108-A1 Single-Component Curable Composition KANEKA CORPORATION (JP) 2007-09-06 US disclosed
US-20070203297-A1 Curable Composition KANEKA CORPORATION 2007-08-30 US disclosed
EP-1767584-A1 PROCESS FOR PRODUCING CURABLE RESIN COMPOSITION Kaneka Corporation (JP) 2007-03-28 EP disclosed
EP-1754754-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-21 EP disclosed
US-20060264545-A1 Polymer having a silicon-containing group capable of cross-linking, metal carboxylate; carboxylic acid; adhesive for interior panel, exterior panel,stone tiling, finishing ceiling, assembling electric, electronic and precision instruments, a sealant; recovery ratio, durability, creep resistance, storage KANEKA CORPORATION 2006-11-23 US disclosed
US-20060089432-A1 Curable composition KANEKA CORPORATION (JP) 2006-04-27 US disclosed
US-20050234170-A1 Sealant having improved dynamic durability KANEKA CORPORATION 2005-10-20 US disclosed
EP-1586597-A1 Sealant having improved dynamic durability KANEKA CORPORATION (JP) 2005-10-19 EP disclosed
US-6486289-B1 Curable composition KANEKA CORPORATION (JP) 2002-11-26 US disclosed
EP-1024170-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2000-08-02 EP disclosed