⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93367 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL27701894 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL27571100 | 0.81 | — | — | |
| Water SCHEMBL27552350 | 0.81 | — | — | |
| Ether SCHEMBL28733009 | 0.78 | ALDH1A1 (0.33) | — | |
| Ether SCHEMBL27771912 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL5031095 | 0.77 | — | — | |
| Alcohol SCHEMBL28243550 | 0.75 | ALDH1A1 (0.40) | — | |
| Benzene SCHEMBL29118252 | 0.75 | TP53 (0.32) | — | |
| Ether SCHEMBL28723305 | 0.74 | ALDH1A1 (0.36) | — |
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-106009784-A | Carbon black coloring pearlescent pigment and preparation method thereof | 林中 | 2016-10-12 | — | — | CN | disclosed |