⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20123046 | 0.86 | PDPK1 (0.31) | — | |
| SCHEMBL20122982 | 0.72 | GRM2 (0.36) | — | |
| SCHEMBL30664160 | 0.72 | GRM2 (0.36) | — | |
| SCHEMBL20122815 | 0.63 | GRM2 (0.36) | — | |
| SCHEMBL29756295 | 0.63 | GRM2 (0.36) | — | |
| SCHEMBL19539186 | 0.57 | PDPK1 (0.43) | — | |
| SCHEMBL30664145 | 0.57 | PDPK1 (0.36) | — | |
| SCHEMBL20123049 | 0.57 | PDPK1 (0.36) | — | |
| SCHEMBL15984746 | 0.57 | ERN1 (0.44) | — | |
| SCHEMBL16561269 | 0.56 | MAPT (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3318563-A1 | SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS | SANOFI (FR) | 2018-05-09 | — | — | EP | disclosed |