⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29035564 | 0.80 | ADRA2A (0.42) | — | |
| SCHEMBL28898015 | 0.76 | DGKA (0.40) | — | |
| SCHEMBL65597 | 0.76 | THRB (0.46) | — | |
| SCHEMBL733860 | 0.76 | TSHR (0.47) | — | |
| SCHEMBL8461574 | 0.74 | ATM (0.36) | — | |
| Ethylene Glycol Diisobutanoate SCHEMBL843146 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL3968219 | 0.72 | ZDHHC7 (0.30) | — | |
| SCHEMBL13210130 | 0.71 | HDAC3 (0.30) | — | |
| SCHEMBL331418 | 0.69 | — | — | |
| SCHEMBL13293258 | 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 |
|---|---|---|---|---|---|---|---|
| CN-111465652-A | Polycarbonate compositions with good flame retardancy | 科思创德国股份有限公司 | 2020-07-28 | — | — | CN | disclosed |