⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10393954 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL10773548 | 0.74 | — | — | |
| SCHEMBL331946 | 0.72 | — | — | |
| SCHEMBL9225235 | 0.72 | — | — | |
| SCHEMBL28150224 | 0.72 | — | — | |
| SCHEMBL31281301 | 0.69 | — | — | |
| SCHEMBL28982546 | 0.69 | — | — | |
| SCHEMBL3266465 | 0.67 | — | — | |
| SCHEMBL17164897 | 0.64 | — | — | |
| SCHEMBL438395 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1036274-C | Arylenediamino substituted triaxine | UNIROYAL CHEM CO INC (US) | 1997-10-29 | — | — | CN | disclosed |
| CN-1050871-A | The triazine that the arylidene diamino replaces | UNIROYAL CHEM CO INC (US) | 1991-04-24 | — | — | CN | disclosed |