⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL105303 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL26717659 | 0.74 | — | — | |
| SCHEMBL26718595 | 0.74 | — | — | |
| SCHEMBL26717656 | 0.74 | — | — | |
| SCHEMBL15001306 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL31705565 | 0.72 | — | — | |
| SCHEMBL10021003 | 0.70 | — | — | |
| SCHEMBL20627760 | 0.70 | — | — | |
| SCHEMBL9963358 | 0.69 | — | — | |
| SCHEMBL15461398 | 0.68 | NPSR1 (0.33) | — |
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-2881394-B1 | CONDENSED RING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |