⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27275161 | 0.75 | — | — | |
| SCHEMBL60827 | 0.73 | — | — | |
| Hexylene Glycol SCHEMBL123432 | 0.71 | — | — | |
| Hexylene Glycol SCHEMBL335683 | 0.71 | — | — | |
| SCHEMBL1976598 | 0.71 | — | — | |
| Hexylene Glycol SCHEMBL6869929 | 0.71 | MAPK1 (0.39) | — | |
| SCHEMBL16448761 | 0.71 | ALDH1A1 (0.39) | — | |
| Hexylene Glycol SCHEMBL19379 | 0.71 | — | — | |
| SCHEMBL22782920 | 0.71 | FDPS (0.34) | — | |
| SCHEMBL28693585 | 0.71 | — | — |
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-6022822-A | Organotin compound and catalyst for transesterification comprising the same | RYOJI NOYORI (JP) | 2000-02-08 | — | — | US | disclosed |