⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11903336 | 0.82 | NPC1 (0.31) | — | |
| SCHEMBL11903148 | 0.69 | CYP2C19 (0.37) | — | |
| SCHEMBL11903145 | 0.69 | CYP2C19 (0.37) | — | |
| SCHEMBL11964435 | 0.66 | NPC1 (0.47) | — | |
| SCHEMBL23646136 | 0.60 | CYP2C19 (0.48) | — | |
| SCHEMBL11901800 | 0.58 | NPC1 (0.51) | — | |
| SCHEMBL11902184 | 0.57 | NPC1 (0.45) | — | |
| SCHEMBL12472740 | 0.56 | PIK3CD (0.38) | — | |
| Hydrochloric Acid SCHEMBL12472518 | 0.56 | PIK3CD (0.38) | — | |
| SCHEMBL23272875 | 0.54 | CYP4F2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |