⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4923170 | 0.80 | HPGD (0.39) | — | |
| SCHEMBL27183462 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL4079831 | 0.76 | ACE2 (0.32) | — | |
| SCHEMBL29634289 | 0.76 | ACE2 (0.32) | — | |
| SCHEMBL17559487 | 0.75 | — | — | |
| SCHEMBL30897408 | 0.72 | HPGD (0.54) | — | |
| SCHEMBL18912913 | 0.72 | HPGD (0.54) | — | |
| SCHEMBL28217195 | 0.70 | GABRA1 (0.31) | — | |
| SCHEMBL22673784 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL25683457 | 0.69 | ALDH1A1 (0.32) | — |
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-106170474-A | Novel compound | 出光兴产株式会社 | 2016-11-30 | — | — | CN | disclosed |