⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6445907 | 0.83 | — | — | |
| SCHEMBL1832147 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2950615 | 0.79 | — | — | |
| SCHEMBL1378836 | 0.79 | ROCK2 (0.33) | — | |
| SCHEMBL12900261 | 0.79 | ROCK2 (0.33) | — | |
| SCHEMBL23660533 | 0.77 | — | — | |
| SCHEMBL13919041 | 0.77 | TRPA1 (0.30) | — | |
| SCHEMBL689782 | 0.75 | — | — | |
| SCHEMBL689385 | 0.75 | EPHX1 (0.35) | — | |
| SCHEMBL32681686 | 0.73 | SHBG (0.34) | — |
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-1995013307-A1 | POLYMER VISCOSITY DEPRESSANT/SUPER COOLING THERMOPLASTIC URETHANE | REFAC INTERNATIONAL, LTD. (US) | 1995-05-18 | — | — | WO | disclosed |