⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4268178 | 0.69 | — | — | |
| SCHEMBL11206014 | 0.68 | — | — | |
| SCHEMBL2722447 | 0.68 | — | — | |
| SCHEMBL4586664 | 0.62 | — | — | |
| SCHEMBL2504814 | 0.59 | — | — | |
| SCHEMBL8699648 | 0.59 | — | — | |
| SCHEMBL7436380 | 0.58 | — | — | |
| SCHEMBL20077863 | 0.58 | — | — | |
| SCHEMBL447698 | 0.56 | — | — | |
| SCHEMBL18032691 | 0.56 | GSK3A (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010077663-A2 | SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2010-07-08 | — | — | WO | disclosed |