⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22389544 | 0.84 | — | — | |
| SCHEMBL38287 | 0.84 | — | — | |
| SCHEMBL9680789 | 0.83 | — | — | |
| SCHEMBL22389560 | 0.83 | — | — | |
| SCHEMBL18185550 | 0.83 | — | — | |
| SCHEMBL22389524 | 0.83 | — | — | |
| SCHEMBL16180647 | 0.81 | — | — | |
| SCHEMBL11597939 | 0.81 | — | — | |
| SCHEMBL15919248 | 0.80 | CCNB2 (0.31) | — | |
| SCHEMBL27596491 | 0.80 | — | — |
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 |