⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3358225 | 0.79 | ADH1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL28188691 | 0.77 | ADH1A (0.32) | — | |
| SCHEMBL21568392 | 0.77 | — | — | |
| SCHEMBL9883855 | 0.74 | — | — | |
| SCHEMBL9538361 | 0.74 | — | — | |
| SCHEMBL1785677 | 0.74 | — | — | |
| SCHEMBL18886008 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL20929152 | 0.71 | CYP2D6 (0.37) | — | |
| SCHEMBL27634638 | 0.70 | — | — | |
| SCHEMBL9537465 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3248999-B1 | NOVEL METHOD FOR PREPARING HIGHLY TRANSPARENT AND HIGHLY HEAT-RESISTANT POLYCARBONATE ESTER | SK CHEMICALS CO LTD (KR) | 2019-11-20 | — | — | EP | claimed |