⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL259146 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL4357945 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL9884571 | 0.82 | — | — | |
| SCHEMBL10351801 | 0.81 | FBP1 (0.35) | — | |
| SCHEMBL8557919 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL27885940 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL8562158 | 0.78 | CA2 (0.47) | — | |
| SCHEMBL6124935 | 0.78 | MAPK1 (0.36) | — | |
| SCHEMBL6937406 | 0.77 | — | — | |
| SCHEMBL8780035 | 0.77 | CA2 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0492128-B1 | Triazine compounds and method for dyeing or printing fiber materials using the same | SUMITOMO CHEMICAL CO (JP) | 1997-06-04 | — | — | EP | disclosed |
| US-5235046-A | Colorfast, washfast | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-08-10 | — | — | US | disclosed |
| EP-0492128-A1 | Triazine compounds and method for dyeing or printing fiber materials using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-07-01 | — | — | EP | disclosed |