⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10940505 | 0.73 | ADH1B (0.53) | — | |
| SCHEMBL1224406 | 0.70 | — | — | |
| SCHEMBL177806 | 0.70 | — | — | |
| SCHEMBL21414832 | 0.69 | — | — | |
| SCHEMBL7523004 | 0.69 | — | — | |
| SCHEMBL4392068 | 0.65 | — | — | |
| SCHEMBL9693051 | 0.65 | — | — | |
| SCHEMBL24805714 | 0.65 | — | — | |
| SCHEMBL1680158 | 0.65 | — | — | |
| SCHEMBL1222982 | 0.65 | — | — |
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-4119646-A | Hexahydrobenzofuranone compounds | MOBIL OIL CORPORATION (US) | 1978-10-10 | — | — | US | disclosed |
| US-4011239-A | MANGANESE, VANADIUM, CERIUM | MOBIL OIL CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |