⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28868084 | 0.77 | ESR1 (0.30) | — | |
| SCHEMBL9681379 | 0.77 | — | — | |
| SCHEMBL8986509 | 0.75 | — | — | |
| SCHEMBL22389544 | 0.75 | — | — | |
| SCHEMBL22389560 | 0.74 | — | — | |
| SCHEMBL22389524 | 0.74 | — | — | |
| SCHEMBL28868091 | 0.72 | — | — | |
| SCHEMBL16180647 | 0.72 | — | — | |
| SCHEMBL21807143 | 0.72 | RAB9A (0.36) | — | |
| SCHEMBL9680785 | 0.72 | — | — |
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-5130493-A | Oxidation of o-cresol in the presence of a chelate compound of iron and manganese with mesotetraarylporphine | BAYER AKTIENGESELLSCHAFT (DE) | 1992-07-14 | — | — | US | disclosed |