⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL639212 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6055071 | 0.97 | GRIK1 (0.38) | — | |
| Butane SCHEMBL6767216 | 0.97 | GRIK1 (0.38) | — | |
| Chloromethane SCHEMBL18426109 | 0.95 | GRIK1 (0.37) | — | |
| SCHEMBL29134998 | 0.85 | EP300 (0.43) | — | |
| SCHEMBL19980211 | 0.85 | EP300 (0.43) | — | |
| SCHEMBL1275230 | 0.82 | — | — | |
| SCHEMBL3293228 | 0.82 | — | — | |
| SCHEMBL5084408 | 0.81 | EP300 (0.55) | — | |
| Butane SCHEMBL9158346 | 0.80 | GRIK1 (0.46) | — |
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-4020125-A | HYDROGENATED POLYBUTADIENE-DIOL MODIFIED BY ISOCYANATES AND HYDROXYALKYL ACRYLATES | NIPPON SODA COMPANY LIMITED (JA) | 1977-04-26 | — | — | US | disclosed |