⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2359743 | 0.87 | CYP2C9 (0.36) | — | |
| SCHEMBL2359567 | 0.87 | — | — | |
| SCHEMBL2358013 | 0.79 | F2RL1 (0.32) | — | |
| SCHEMBL14828541 | 0.76 | ROCK2 (0.36) | — | |
| SCHEMBL3379662 | 0.75 | CYP2C9 (0.36) | — | |
| SCHEMBL2356247 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL2311690 | 0.75 | GNRHR (0.35) | — | |
| SCHEMBL2313391 | 0.74 | S1PR3 (0.34) | — | |
| SCHEMBL2313425 | 0.73 | GNRHR (0.39) | — | |
| SCHEMBL3241562 | 0.72 | EPHX1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2350015-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-08-03 | — | — | EP | claimed |