⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10529025 | 0.77 | — | — | |
| SCHEMBL2564922 | 0.77 | — | — | |
| SCHEMBL10548551 | 0.77 | — | — | |
| SCHEMBL600108 | 0.77 | — | — | |
| SCHEMBL18090964 | 0.77 | — | — | |
| SCHEMBL10549465 | 0.72 | GPR84 (0.44) | — | |
| SCHEMBL16505357 | 0.72 | GPR84 (0.41) | — | |
| SCHEMBL16504531 | 0.72 | GPR84 (0.40) | — | |
| SCHEMBL6745557 | 0.72 | TRPV4 (0.39) | — | |
| SCHEMBL6169224 | 0.72 | GPR84 (0.41) | — |
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-105936823-A | Composite for etching treatment and etching treatment method | 大金工业株式会社 | 2016-09-14 | — | — | CN | disclosed |