⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7458475 | 0.88 | P4HB (0.34) | — | |
| SCHEMBL7461465 | 0.82 | ABCB1 (0.33) | — | |
| SCHEMBL7469393 | 0.82 | P4HB (0.41) | — | |
| SCHEMBL7474788 | 0.81 | P4HB (0.34) | — | |
| SCHEMBL7464610 | 0.76 | — | — | |
| SCHEMBL7474659 | 0.75 | P4HB (0.37) | — | |
| SCHEMBL7464789 | 0.74 | KDM4E (0.36) | — | |
| Pibrozelesin SCHEMBL14499178 | 0.74 | P4HB (0.44) | — | |
| Pibrozelesin SCHEMBL29352513 | 0.74 | P4HB (0.44) | — | |
| SCHEMBL13410096 | 0.73 | HRH4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0656360-B1 | TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | KYORIN SEIYAKU KK (JP) | 2002-11-20 | — | — | EP | disclosed |
| US-5629430-A | ANTICARCINOGENIC AGENTS | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0656360-A1 | TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 1995-06-07 | — | — | EP | disclosed |