⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3505601 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL11971724 | 0.74 | ACHE (0.46) | — | |
| SCHEMBL3167220 | 0.74 | SLC6A4 (0.53) | — | |
| SCHEMBL30344739 | 0.74 | KDM1A (0.55) | — | |
| SCHEMBL1556078 | 0.74 | — | — | |
| SCHEMBL4320028 | 0.74 | KDM1A (0.55) | — | |
| SCHEMBL20201971 | 0.74 | OPRD1 (0.49) | — | |
| SCHEMBL25155419 | 0.72 | MAOA (0.45) | — | |
| Hydrochloric Acid SCHEMBL2338204 | 0.72 | SLC6A4 (0.51) | — | |
| Hydrochloric Acid SCHEMBL31486432 | 0.72 | HTR2C (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3087091-B1 | VAR2CSA-DRUG CONJUGATES | ZYMEWORKS INC (CA) | 2021-10-20 | — | — | EP | disclosed |
| WO-2019057946-A1 | MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2019-03-28 | — | — | WO | disclosed |