⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4151986 | 0.79 | — | — | |
| SCHEMBL28546050 | 0.62 | TDO2 (0.42) | — | |
| SCHEMBL9948833 | 0.60 | RAB9A (0.43) | — | |
| SCHEMBL28625829 | 0.57 | BACE1 (0.35) | — | |
| SCHEMBL444759 | 0.57 | — | — | |
| SCHEMBL6528384 | 0.56 | MEN1 (0.33) | — | |
| SCHEMBL29732491 | 0.55 | MEN1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL10625153 | 0.54 | MEN1 (0.45) | — | |
| SCHEMBL6244834 | 0.54 | KDM4E (0.33) | — | |
| SCHEMBL28648952 | 0.54 | GABRA1 (0.39) | — |
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-1758911-A1 | 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES | Tibotec Pharmaceuticals Ltd. (IE) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005111047-A1 | 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2005-11-24 | — | — | WO | disclosed |