⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9973379 | 0.86 | HMGCR (0.33) | — | |
| SCHEMBL15216352 | 0.84 | — | — | |
| SCHEMBL13760432 | 0.80 | — | — | |
| SCHEMBL13039148 | 0.80 | — | — | |
| SCHEMBL47489 | 0.80 | — | — | |
| SCHEMBL13228821 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL19655063 | 0.79 | — | — | |
| SCHEMBL25701287 | 0.78 | — | — | |
| SCHEMBL15745517 | 0.78 | — | — | |
| SCHEMBL15216353 | 0.78 | — | — |
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-20120009521-A1 | RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND AND ACID GENERATOR | TOKYO OHKA KOGYO CO., LTD. (JP) | 2012-01-12 | — | — | US | disclosed |