⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7469013 | 0.87 | — | — | |
| SCHEMBL7466119 | 0.80 | — | — | |
| SCHEMBL7464610 | 0.73 | — | — | |
| SCHEMBL7470059 | 0.72 | P4HB (0.37) | — | |
| SCHEMBL7467851 | 0.72 | SYK (0.36) | — | |
| SCHEMBL7469393 | 0.71 | P4HB (0.41) | — | |
| SCHEMBL14012235 | 0.69 | HRH4 (0.45) | — | |
| SCHEMBL13401447 | 0.69 | SYK (0.39) | — | |
| SCHEMBL13401443 | 0.68 | HRH4 (0.36) | — | |
| SCHEMBL13401571 | 0.68 | HRH4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |