⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130331 | 0.78 | — | — | |
| SCHEMBL1567779 | 0.71 | — | — | |
| SCHEMBL11995523 | 0.69 | PGK1 (0.31) | — | |
| SCHEMBL758682 | 0.69 | — | — | |
| SCHEMBL22532445 | 0.69 | — | — | |
| SCHEMBL3956871 | 0.69 | — | — | |
| SCHEMBL760287 | 0.68 | — | — | |
| SCHEMBL12490127 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL6089362 | 0.66 | — | — | |
| SCHEMBL352538 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011009934-A1 | TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2011-01-27 | — | — | WO | disclosed |
| WO-2011009934-A1 | TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2011-01-27 | — | — | WO | disclosed |