⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12518176 | 0.86 | ALDH1A1 (0.48) | — | |
| SCHEMBL12465422 | 0.83 | — | — | |
| SCHEMBL17073910 | 0.80 | FAAH (0.54) | — | |
| SCHEMBL16288512 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL16288509 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL16288995 | 0.77 | — | — | |
| SCHEMBL14544251 | 0.77 | PTGS1 (0.43) | — | |
| SCHEMBL16288993 | 0.77 | — | — | |
| SCHEMBL8834831 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL532615 | 0.76 | ALDH1A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8232246-B2 | Anti-viral compounds | ABBOTT LABORATORIES (US) | 2012-07-31 | — | — | US | disclosed |
| US-20100168384-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-07-01 | — | — | US | disclosed |