⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11548991 | 1.00 | — | — | |
| SCHEMBL654628 | 0.79 | — | — | |
| SCHEMBL667159 | 0.77 | — | — | |
| SCHEMBL820469 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL820470 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL49357 | 0.74 | — | — | |
| SCHEMBL8665104 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL2338969 | 0.70 | — | — | |
| SCHEMBL11863697 | 0.70 | — | — | |
| SCHEMBL5410206 | 0.70 | GABRR1 (0.34) | — |
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-4149010-A | Synthesis of α-trifluoromethyl vinyl acetate | POLAROID CORPORATION (US) | 1979-04-10 | — | — | US | disclosed |