⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3119322 | 0.79 | — | — | |
| SCHEMBL29169308 | 0.75 | KMT2A (0.32) | — | |
| SCHEMBL728824 | 0.75 | KMT2A (0.32) | — | |
| SCHEMBL28478259 | 0.74 | KMT2A (0.31) | — | |
| SCHEMBL1308919 | 0.74 | KMT2A (0.31) | — | |
| SCHEMBL28576863 | 0.74 | KMT2A (0.31) | — | |
| SCHEMBL5425232 | 0.74 | KMT2A (0.31) | — | |
| SCHEMBL27466836 | 0.72 | KMT2A (0.30) | — | |
| SCHEMBL11756123 | 0.70 | SCN1A (0.35) | — | |
| SCHEMBL2983154 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5138012-A | Containing phenolic compounds; controlled release | GENERAL ELECTRIC COMPANY (US) | 1992-08-11 | — | — | US | disclosed |