⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13955039 | 0.67 | NOS1 (0.43) | — | |
| SCHEMBL23197771 | 0.65 | NOS3 (0.33) | — | |
| SCHEMBL17679887 | 0.63 | PARP1 (0.34) | — | |
| SCHEMBL13764703 | 0.62 | — | — | |
| SCHEMBL22596444 | 0.61 | NOS3 (0.34) | — | |
| SCHEMBL18930176 | 0.61 | — | — | |
| SCHEMBL266971 | 0.61 | — | — | |
| SCHEMBL6616471 | 0.57 | HTR2C (0.44) | — | |
| SCHEMBL19732290 | 0.56 | — | — | |
| SCHEMBL783007 | 0.56 | — | — |
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-2019178747-A1 | POLYOLEFIN-AND-POLYVINYLPYRROLIDONE FORMULATION | DOW GLOBAL TECHNOLOGIES LLC (US) | 2019-09-26 | — | — | WO | disclosed |