⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10884786 | 0.84 | — | — | |
| SCHEMBL9445641 | 0.74 | — | — | |
| SCHEMBL11213496 | 0.72 | — | — | |
| SCHEMBL6904117 | 0.72 | — | — | |
| Methane SCHEMBL3120405 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL3423760 | 0.70 | — | — | |
| SCHEMBL8720938 | 0.69 | — | — | |
| SCHEMBL432042 | 0.67 | — | — | |
| Carbon Tetrachloride SCHEMBL19464207 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL7771005 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0080339-A2 | Colored monomer composition, method of polymerizing the composition, and polymerizate formed thereby | PPG INDUSTRIES, INC. (US) | 1983-06-01 | — | — | EP | disclosed |
| US-4098896-A | FUNGICIDES | CHEVRON RESEARCH COMPANY (US) | 1978-07-04 | — | — | US | disclosed |