⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18289463 | 0.79 | — | — | |
| SCHEMBL15642809 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL6409702 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL19419862 | 0.59 | — | — | |
| SCHEMBL19420022 | 0.59 | — | — | |
| SCHEMBL1535705 | 0.58 | — | — | |
| SCHEMBL5762435 | 0.58 | — | — | |
| SCHEMBL2337093 | 0.57 | CHRNB2 (0.31) | — | |
| SCHEMBL28665389 | 0.57 | CHRNB2 (0.31) | — | |
| SCHEMBL1145358 | 0.57 | POLB (0.31) | — |
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-20160355616-A1 | Polyvinyl Pyrrolidone analog Polymers | LOGIN ROBERT BERNARD (US) | 2016-12-08 | — | — | US | disclosed |