⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14267183 | 0.98 | — | — | |
| SCHEMBL14267184 | 0.90 | — | — | |
| SCHEMBL12440777 | 0.74 | — | — | |
| SCHEMBL15763733 | 0.70 | — | — | |
| SCHEMBL12537266 | 0.70 | — | — | |
| SCHEMBL3964856 | 0.69 | TAS1R3 (0.31) | — | |
| SCHEMBL18257655 | 0.69 | TAS1R3 (0.31) | — | |
| SCHEMBL3961305 | 0.67 | TAS1R3 (0.30) | — | |
| SCHEMBL12140663 | 0.67 | TAS1R3 (0.30) | — | |
| SCHEMBL926802 | 0.66 | TAS1R3 (0.35) | — |
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-20080042127-A1 | Transition metal free coupling of highly fluorinated and non-fluorinated pi-electron systems | WATSON MARK D | 2008-02-21 | — | — | US | disclosed |