⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8720409 | 0.97 | — | — | |
| SCHEMBL27866989 | 0.90 | FDPS (0.46) | — | |
| SCHEMBL28026931 | 0.88 | SMPD1 (0.48) | — | |
| Hexane SCHEMBL10409677 | 0.87 | FDPS (0.48) | — | |
| SCHEMBL221243 | 0.87 | — | — | |
| SCHEMBL25221553 | 0.84 | SMPD1 (0.50) | — | |
| SCHEMBL25272640 | 0.84 | SMPD1 (0.50) | — | |
| SCHEMBL25275199 | 0.84 | SMPD1 (0.50) | — | |
| SCHEMBL22400688 | 0.84 | SMPD1 (0.50) | — | |
| SCHEMBL1835454 | 0.84 | SMPD1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102639334-B | Compositions and methods for producing poly-aminofunctionalized polymerization initiators and corresponding polymers | BRIDGESTONE CORP | 2015-07-08 | — | — | CN | disclosed |