⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1730172 | 0.77 | — | — | |
| SCHEMBL16991708 | 0.77 | — | — | |
| SCHEMBL18989817 | 0.74 | — | — | |
| SCHEMBL3150598 | 0.74 | LOXL2 (0.42) | — | |
| SCHEMBL15196257 | 0.74 | NOS2 (0.36) | — | |
| SCHEMBL24243015 | 0.73 | — | — | |
| SCHEMBL30402790 | 0.73 | — | — | |
| SCHEMBL1509571 | 0.73 | — | — | |
| SCHEMBL785302 | 0.73 | — | — | |
| SCHEMBL26272924 | 0.72 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019057946-A1 | MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2019-03-28 | — | — | WO | disclosed |