⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28909 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28316218 | 0.88 | — | — | |
| SCHEMBL28074504 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL31432993 | 0.88 | — | — | |
| SCHEMBL27986632 | 0.88 | — | — | |
| Acetic Acid SCHEMBL27982750 | 0.86 | ALDH1A1 (0.46) | — | |
| SCHEMBL27696083 | 0.84 | PEPD (0.36) | — | |
| Carbamic Acid SCHEMBL28135902 | 0.83 | ACHE (0.39) | — | |
| SCHEMBL28205310 | 0.83 | PEPD (0.39) | — | |
| Methacrylic Acid SCHEMBL27642909 | 0.83 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110139877-A | METHOD FOR PRODUCING HYDROGENATED CONJUGATED DIENE POLYMER LATEX | 日本瑞翁株式会社 | 2019-08-16 | — | — | CN | disclosed |