⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8478531 | 0.80 | — | — | |
| SCHEMBL8477459 | 0.80 | OPRM1 (0.31) | — | |
| SCHEMBL8482279 | 0.74 | NPC1 (0.37) | — | |
| SCHEMBL6966623 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL8481442 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL8477981 | 0.69 | MRGPRX4 (0.39) | — | |
| SCHEMBL7535391 | 0.62 | IDO1 (0.48) | — | |
| SCHEMBL7101261 | 0.62 | LMNA (0.43) | — | |
| SCHEMBL28043041 | 0.61 | LMNA (0.41) | — | |
| SCHEMBL4918898 | 0.60 | LMNA (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5965740-A | POTENT FUNGICIDAL AND INSECTICIDAL ACTIVITY; LOW TOXICITY | SHIONOGI & CO., LTD. (JP) | 1999-10-12 | — | — | US | disclosed |