⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139587 | 0.79 | HTR6 (0.41) | — | |
| SCHEMBL1427870 | 0.79 | HTR6 (0.36) | — | |
| SCHEMBL236429 | 0.79 | HTR6 (0.36) | — | |
| SCHEMBL7050656 | 0.78 | — | — | |
| SCHEMBL129114 | 0.77 | HTR6 (0.39) | — | |
| SCHEMBL4823168 | 0.77 | HTR6 (0.39) | — | |
| SCHEMBL5050538 | 0.74 | — | — | |
| SCHEMBL946157 | 0.74 | CYP2A13 (0.31) | — | |
| SCHEMBL4466797 | 0.73 | — | — | |
| SCHEMBL11199604 | 0.72 | HTR6 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1751165-A1 | 4-SUBSTITUTED 1,5-DIHYDRO-PYRIDO(3,2-B)INDOL-2-ONES | Tibotec Pharmaceuticals Ltd. (IE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005111044-A1 | 4-SUBSTITUTED-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2005-11-24 | — | — | WO | disclosed |