⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14860712 | 0.85 | TAS1R3 (0.38) | — | |
| SCHEMBL7576026 | 0.82 | TAS1R3 (0.41) | — | |
| SCHEMBL17799200 | 0.80 | LMNA (0.34) | — | |
| SCHEMBL2237682 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL10288632 | 0.77 | CA12 (0.42) | — | |
| SCHEMBL14850564 | 0.76 | — | — | |
| SCHEMBL2234598 | 0.74 | PLA2G2C (0.33) | — | |
| SCHEMBL13809977 | 0.74 | — | — | |
| SCHEMBL3613760 | 0.74 | — | — | |
| SCHEMBL3610596 | 0.72 | — | — |
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-10076240-A | — | — | None | — | — | JP | disclosed |
| JP-H1076240-A | HEAVY METAL FIXING AGENT | NIPPON SODA CO LTD | 1998-03-24 | — | — | JP | disclosed |