⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL844187 | 0.96 | — | — | |
| SCHEMBL1446233 | 0.93 | — | — | |
| SCHEMBL1446238 | 0.93 | — | — | |
| Acetic Acid SCHEMBL11076283 | 0.84 | FFAR3 (0.41) | — | |
| Dimethyl Sulfoxide SCHEMBL28115042 | 0.84 | ALDH1A1 (0.33) | — | |
| Alcohol SCHEMBL17054358 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL2464931 | 0.79 | ALDH1A1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL7776241 | 0.77 | — | — | |
| SCHEMBL10549230 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL2464934 | 0.76 | CA5A (0.53) | — |
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-4150955-A | Deformable non-cellular polyurethane polishing wheel | THE MANUFACTURERS BRUSH COMPANY (US) | 1979-04-24 | — | — | US | disclosed |
| US-4048765-A | Non-cellular polyurethane wheel in a process for finishing a metal workpiece | THE MANUFACTURERS BRUSH COMPANY (US) | 1977-09-20 | — | — | US | disclosed |