⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15488761 | 0.74 | CYP3A4 (0.48) | — | |
| SCHEMBL799411 | 0.74 | MAPT (0.44) | — | |
| SCHEMBL14360194 | 0.73 | LMNA (0.39) | — | |
| SCHEMBL24455167 | 0.72 | GRIA1 (0.38) | — | |
| SCHEMBL261036 | 0.72 | ACHE (0.42) | — | |
| SCHEMBL24455159 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL24455106 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL22791405 | 0.70 | SIGMAR1 (0.32) | — | |
| SCHEMBL24455123 | 0.68 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL20808852 | 0.68 | CYP3A4 (0.36) | — |
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-2678334-B1 | ANTI-VIRAL COMPOUNDS | ABBVIE BAHAMAS LTD (BS) | 2017-03-22 | — | — | EP | disclosed |