⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27674555 | 0.78 | — | — | |
| SCHEMBL7446861 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL1402345 | 0.75 | — | — | |
| SCHEMBL2496791 | 0.71 | — | — | |
| SCHEMBL23069457 | 0.71 | — | — | |
| SCHEMBL4618906 | 0.71 | — | — | |
| SCHEMBL25543737 | 0.69 | TDP1 (0.47) | — | |
| SCHEMBL18856322 | 0.69 | — | — | |
| SCHEMBL7797804 | 0.67 | — | — | |
| SCHEMBL1783617 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5066696-A | Tertiary-Alkyl-Substituted Melamines | ROHM AND HAAS COMPANY (US) | 1991-11-19 | — | — | US | disclosed |
| EP-0442680-A1 | Polymers stabilized against light and heat degradation | ROHM AND HAAS COMPANY (US) | 1991-08-21 | — | — | EP | disclosed |