⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8038708 | 0.70 | — | — | |
| SCHEMBL8040629 | 0.65 | — | — | |
| SCHEMBL862360 | 0.64 | — | — | |
| SCHEMBL11508464 | 0.60 | — | — | |
| SCHEMBL18419775 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL11416316 | 0.56 | ALDH1A1 (0.32) | — | |
| SCHEMBL10850337 | 0.56 | — | — | |
| Fluoride SCHEMBL11047622 | 0.55 | ALDH1A1 (0.30) | — | |
| SCHEMBL10982442 | 0.55 | — | — | |
| SCHEMBL17322192 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57054103-A | — | — | None | — | — | JP | disclosed |
| JP-S5754103-A | ANTIFOULING AGENT | KUMIAI CHEM IND CO LTD | 1982-03-31 | — | — | JP | disclosed |