⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7459652 | 0.87 | — | — | |
| SCHEMBL7474530 | 0.76 | ADH1A (0.34) | — | |
| SCHEMBL7465950 | 0.74 | AKR1C3 (0.39) | — | |
| SCHEMBL7467832 | 0.73 | P4HB (0.47) | — | |
| SCHEMBL7469050 | 0.72 | POLB (0.43) | — | |
| SCHEMBL7473460 | 0.71 | ABCB1 (0.35) | — | |
| SCHEMBL7468222 | 0.70 | NPC1 (0.37) | — | |
| SCHEMBL7472655 | 0.69 | PDGFRB (0.31) | — | |
| SCHEMBL7467710 | 0.69 | KMT2A (0.36) | — | |
| SCHEMBL6851179 | 0.68 | ADH1A (0.35) | — |
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 |
| EP-0656360-A1 | TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 1995-06-07 | — | — | EP | disclosed |