⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8492828 | 0.78 | NOS3 (0.31) | — | |
| SCHEMBL22519342 | 0.76 | — | — | |
| SCHEMBL5025912 | 0.76 | — | — | |
| SCHEMBL9595898 | 0.76 | — | — | |
| SCHEMBL8863561 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28723202 | 0.74 | — | — | |
| SCHEMBL27395395 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8752959 | 0.74 | ADRB2 (0.38) | — | |
| SCHEMBL14445004 | 0.73 | OPRM1 (0.33) | — | |
| SCHEMBL21215266 | 0.73 | OPRM1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160222179-A1 | ORGANIC SUBSTRATES HAVING IMPROVED WEATHERABILITY AND MAR RESISTANCE | RADCO Infusion Technologies, LLC (US) | 2016-08-04 | — | — | US | disclosed |
| EP-0351314-A2 | Medical material and medical implement | TERUMO KABUSHIKI KAISHA (JP) | 1990-01-17 | — | — | EP | disclosed |