⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2706596 | 0.72 | PSEN1 (0.37) | — | |
| SCHEMBL19154117 | 0.68 | — | — | |
| SCHEMBL2707211 | 0.68 | PSEN1 (0.41) | — | |
| SCHEMBL13070646 | 0.62 | MAPT (0.40) | — | |
| SCHEMBL17807760 | 0.61 | MAOB (0.33) | — | |
| SCHEMBL23775718 | 0.60 | FGFR3 (0.34) | — | |
| SCHEMBL12939768 | 0.60 | HPGDS (0.41) | — | |
| SCHEMBL9980153 | 0.60 | CYP1A2 (0.38) | — | |
| SCHEMBL25786312 | 0.59 | HTR2A (0.33) | — | |
| SCHEMBL24344837 | 0.58 | HTR2A (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-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |