⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8035652 | 1.00 | — | — | |
| SCHEMBL666673 | 0.84 | DPP4 (0.33) | — | |
| SCHEMBL5656918 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL11388664 | 0.76 | — | — | |
| SCHEMBL10755182 | 0.76 | — | — | |
| SCHEMBL1763134 | 0.76 | CYP3A4 (0.39) | — | |
| SCHEMBL16085820 | 0.74 | ESR1 (0.45) | — | |
| SCHEMBL1076557 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL89098 | 0.74 | GABRA1 (0.46) | — | |
| SCHEMBL10704194 | 0.74 | TAAR1 (0.30) | — |
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 |