SCHEMBL5675685

SCHEMBL5675685

CC[N+](C)(C)Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
AGXT P21549 2/20 0.47
LTA4H P09960 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A4 P31645 1/20 0.44
AOC3 Q16853 1/20 0.43
CALM1 P0DP23 1/20 0.42

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
Hydrochloric Acid SCHEMBL10527448 0.98 IDO1 (0.48) IDO1CA12CA1CA2CA7
SCHEMBL22301651 0.86 PSMD14 (0.44) ALDH1A1TP53CYP3A4SMN1; SMN2KDM4E
Bromide SCHEMBL22301649 0.84 DNM1 (0.45) ALDH1A1TP53CYP3A4SMN1; SMN2KDM4E
Pivalate SCHEMBL28468823 0.83 HTT (0.41) CA1CA2SMN1; SMN2
SCHEMBL16187145 0.82 IDO1 (0.54) IDO1CA12CA1CA2CA7
Water SCHEMBL8526797 0.81 IDO1 (0.48) IDO1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL8527468 0.81 IDO1 (0.48) IDO1CA12CA1CA2CA7
SCHEMBL27500681 0.80 IDO1 (0.52) IDO1CA12CA1CA2CA7
Bromide SCHEMBL8613045 0.80 IDO1 (0.52) IDO1CA12CA1CA2CA7
Emilium SCHEMBL29388187 0.79 CHRM2 (0.53) IDO1AGXTTAAR1AOC3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP claimed
EP-4551634-A1 POLYISOCYANATE MIXTURE Covestro Deutschland AG (DE) 2025-05-14 EP disclosed
EP-3601405-B1 GENERATION OF POLYISOCYANURATE LAYERS THROUGH SEPARATE APPLICATION OF ISOCYANATE COMPONENTS AND CATALYSTS COVESTRO DEUTSCHLAND AG (DE) 2024-08-28 EP disclosed
EP-3085718-B1 SILOXANE GROUPS CONTAINING POLYISOCYANURATE PLASTIC AND METHOD FOR PRODUCING THE SAME COVESTRO DEUTSCHLAND AG (DE) 2024-04-17 EP disclosed
EP-3743449-B1 SEMI-FINISHED PRODUCTS BASED ON DUAL CROSS-LINKING MECHANISM COVESTRO DEUTSCHLAND AG (DE) 2024-04-17 EP disclosed
EP-4314102-A1 POLYISOCYANURATE-PREPREGS AND FIBER COMPOSITE COMPONENTS PRODUCED THEREFROM Covestro Deutschland AG (DE) 2024-02-07 EP disclosed
WO-2024008544-A1 POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2024-01-11 WO disclosed
EP-4303246-A1 POLYISOCYANATE MIXTURE Covestro Deutschland AG (DE) 2024-01-10 EP disclosed
US-11760828-B2 Two-component system for elastic coatings COVESTRO DEUTSCHLAND AG (DE) 2023-09-19 US disclosed
EP-4175820-A1 COATINGS FROM POLYISOCYANURATE COATINGS (RIM) AND THEIR USE IN INJECTION MOLDING PROCESSES Covestro Deutschland AG (DE) 2023-05-10 EP disclosed
CN-110446737-A Coating is formed by separated application polyisocyantates composition and crosslinking catalyst COVESTRO DEUTSCHLAND AG 2019-11-12 CN disclosed
CN-110062794-A Hard coating with high chemical and mechanical resistance 科思创德国股份有限公司 2019-07-26 CN disclosed
CN-109890865-A Production of plastics by catalytic crosslinking of blocked polyisocyanates 科思创德国股份有限公司 2019-06-14 CN disclosed
CN-109843961-A The method and equipment for coating of coil and stsip of blocked polyisocyanate containing catalytic crosslinking 科思创德国股份有限公司 2019-06-04 CN disclosed
CN-109071762-A Polyisocyanurate plastic containing siloxane group and method for producing same 科思创德国股份有限公司 2018-12-21 CN disclosed
CN-109071764-A Hydrophobically modified polyisocyanurate plastics and process for producing the same 科思创德国股份有限公司 2018-12-21 CN disclosed
CN-109071763-A Hydrophilically modified polyisocyanurate plastics and method for producing same 科思创德国股份有限公司 2018-12-21 CN disclosed
CN-107531874-A Polyisocyanurate polymer and method for producing polyisocyanurate polymer 科思创德国股份有限公司 2018-01-02 CN disclosed
CN-107531876-A Poly-isocyanurate plastics with high thermal stability 科思创德国股份有限公司 2018-01-02 CN disclosed
CN-107531875-A Process for producing polyisocyanurate plastics having functionalized surfaces 科思创德国股份有限公司 2018-01-02 CN disclosed