⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12707420 | 0.82 | — | — | |
| SCHEMBL190199 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL28929168 | 0.72 | ALDH1A1 (0.31) | — | |
| Potassium SCHEMBL30153826 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL5252986 | 0.71 | — | — | |
| SCHEMBL6059441 | 0.69 | — | — | |
| SCHEMBL417933 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL2407732 | 0.67 | — | — | |
| SCHEMBL179477 | 0.67 | — | — | |
| SCHEMBL10619155 | 0.67 | — | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0383621-B1 | Diphenyldiacetylene derivative | TODA KOGYO CORP (JP) | 1993-12-08 | — | — | EP | claimed |
| EP-0383621-A1 | Diphenyldiacetylene derivative | TODA KOGYO CORP. (JP) | 1990-08-22 | — | — | EP | claimed |
| JP-1233263-A | — | — | None | — | — | JP | disclosed |
| JP-2215742-A | — | — | None | — | — | JP | disclosed |
| JP-7126223-A | — | — | None | — | — | JP | disclosed |
| JP-3188040-A | — | — | None | — | — | JP | disclosed |
| CN-109232187-B | Chiral procaterol analogue and synthetic method and application thereof | 西南医科大学 | 2021-12-24 | — | — | CN | disclosed |
| US-10093633-B2 | Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof | ISP INVESTMENTS LLC (US) | 2018-10-09 | — | — | US | disclosed |
| EP-2405757-B1 | FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF | ISP INVESTMENTS INC (US) | 2017-11-08 | — | — | EP | disclosed |
| US-20160083356-A1 | FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF | ISP INVESTMENTS INC. (US) | 2016-03-24 | — | — | US | disclosed |
| US-8993698-B2 | 4- and 5 substituted 1,2,3-triazole moieties with at least one remote polymerizable moiety and polymers thereof | ISP INVESTMENTS INC. (US) | 2015-03-31 | — | — | US | disclosed |
| JP-H01233263-A | PHENYLBUTADIYNE DERIVATIVE | AGENCY OF IND SCIENCE & TECHNOL | 1989-09-19 | — | — | JP | disclosed |
| US-4052416-A | FIRE RETARDANTS, FUEL ADDITIVES, AGRICULTURE, PLASTICIZING, CHEMICAL INTERMEDIATES | ALELIO GAETANO F D | 1977-10-04 | — | — | US | disclosed |
| US-4016224-A | FIRE RETARDANTS, FUEL ADDITIVES, PLASTICIZERS | ALELIO GAETANO F D | 1977-04-05 | — | — | US | disclosed |
| US-4000358-A | ACRYLIC POLYMERSAMIDE | ALELIO GAETANO F D | 1976-12-28 | — | — | US | disclosed |
| US-3985835-A | A PHOSPHORUS-HALOGEN-NITROGEN CONTAINING COMPOUND | ALELIO GAETANO F D | 1976-10-12 | — | — | US | disclosed |
| US-3980737-A | FIRE RETARDANTS, AGRICULTURAL CHEMICALS, FUEL ADDITIVES, PLASTICIZERS, INTERMEDIATES | ALELIO GAETANO F D | 1976-09-14 | — | — | US | disclosed |
| US-3970727-A | Halogenated esters of phosphorus-containing acids | ALELIO GAETANO F D | 1976-07-20 | — | — | US | disclosed |
| US-3950457-A | ADDITION POLYMERS OF UNSATURATED CARBOXYLATES | ALELIO GAETANO F D | 1976-04-13 | — | — | US | disclosed |
| US-3950392-A | FIREPROOFING, HOMOPOLYMERIZATION, COPOLYMERIZATION | ALELIO GAETANO F D | 1976-04-13 | — | — | US | disclosed |