⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21932593 | 0.89 | CYP1A2 (0.34) | — | |
| SCHEMBL9679835 | 0.88 | — | — | |
| SCHEMBL28868104 | 0.86 | — | — | |
| SCHEMBL29069262 | 0.85 | — | — | |
| SCHEMBL29171209 | 0.84 | — | — | |
| SCHEMBL15919248 | 0.84 | CCNB2 (0.31) | — | |
| SCHEMBL9679754 | 0.82 | — | — | |
| SCHEMBL9680789 | 0.81 | — | — | |
| SCHEMBL28868083 | 0.80 | — | — | |
| SCHEMBL29069268 | 0.79 | — | — |
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 |