⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1109751 | 0.86 | TRPA1 (0.32) | — | |
| SCHEMBL15034704 | 0.85 | — | — | |
| SCHEMBL3448595 | 0.85 | — | — | |
| SCHEMBL21462823 | 0.84 | TRPA1 (0.32) | — | |
| SCHEMBL9914293 | 0.83 | — | — | |
| SCHEMBL9914203 | 0.83 | — | — | |
| SCHEMBL220893 | 0.83 | — | — | |
| SCHEMBL7987240 | 0.83 | OPRM1 (0.41) | — | |
| SCHEMBL14861404 | 0.83 | OPRM1 (0.41) | — | |
| SCHEMBL17027558 | 0.83 | OPRM1 (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020249060-A1 | RESIN MATERIALS FOR MAKING THREE-DIMENSIONAL OBJECTS AND METHODS OF USING THE SAME | LUXCREO (BEIJING) INC. (CN) | 2020-12-17 | — | — | WO | disclosed |
| US-20190023918-A1 | AQUEOUS DISPERSION, METHOD FOR MANUFACTURING THE SAME, AND IMAGE FORMING METHOD | FUJIFILM CORPORATION (JP) | 2019-01-24 | — | — | US | disclosed |
| CN-105859994-A | Aqueous Emulsion Obtained from the Mixture based on a Polyisocyanate and a Solvent of Ether Ester Type, and Use of this Emulsion for the Manufacture of Coatings and Adhesives | 温科莱斯法国公司 | 2016-08-17 | — | — | CN | disclosed |
| US-6248765-B1 | ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) | 2001-06-19 | — | — | US | disclosed |
| US-5319133-A | Isocyanates and their preparation using hypochlorous acid | OLIN CORPORATION (US) | 1994-06-07 | — | — | US | disclosed |
| US-4238404-A | N-CHLOROAMIDE, TERTIARY AMINE | AKZONA INCORPORATED (US) | 1980-12-09 | — | — | US | disclosed |
| US-4223145-A | THERMAL DECOMPOSITION OF HYDROCHLORIDE OF TRISUBSTITUTED UREA | AKZO N.V. (NL) | 1980-09-16 | — | — | US | disclosed |