⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10696824 | 1.00 | — | — | |
| SCHEMBL10697582 | 1.00 | — | — | |
| SCHEMBL187818 | 0.94 | — | — | |
| SCHEMBL12110412 | 0.94 | — | — | |
| SCHEMBL467996 | 0.94 | — | — | |
| SCHEMBL5442205 | 0.92 | TSHR (0.50) | — | |
| Water SCHEMBL7172229 | 0.92 | TSHR (0.43) | — | |
| SCHEMBL11166326 | 0.92 | TSHR (0.50) | — | |
| SCHEMBL10965766 | 0.92 | TSHR (0.50) | — | |
| SCHEMBL5442210 | 0.92 | TSHR (0.50) | — |
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-0273168-A1 | Triazaspirodecanylmethylindolone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1988-07-06 | — | — | EP | disclosed |
| US-4707484-A | Substituted piperidinomethylindolone and cyclopent(b)indolone derivatives | HOFFMANN-LA ROCHE INC. (US) | 1987-11-17 | — | — | US | disclosed |