⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28168642 | 0.92 | — | — | |
| SCHEMBL247601 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL14691668 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8214812 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL28191313 | 0.88 | — | — | |
| Fluoromethane SCHEMBL28054931 | 0.86 | — | — | |
| Acetonitrile SCHEMBL28224913 | 0.84 | — | — | |
| SCHEMBL14688025 | 0.81 | — | — | |
| Vinyl Chloride SCHEMBL28123415 | 0.79 | — | — | |
| Propylamine SCHEMBL8361290 | 0.78 | — | — |
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-108641365-A | Have both modified white carbon black of damping and flame retardant property and preparation method thereof, silicon rubber | 中国科学院化学研究所 | 2018-10-12 | — | — | CN | disclosed |