⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8776760 | 0.76 | — | — | |
| SCHEMBL28420403 | 0.69 | — | — | |
| SCHEMBL12728207 | 0.69 | — | — | |
| SCHEMBL873086 | 0.67 | — | — | |
| SCHEMBL9121350 | 0.67 | — | — | |
| SCHEMBL27604898 | 0.64 | — | — | |
| SCHEMBL11631395 | 0.64 | — | — | |
| SCHEMBL9231072 | 0.62 | — | — | |
| SCHEMBL28922026 | 0.62 | — | — | |
| SCHEMBL675127 | 0.61 | — | — |
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-4139721-A | FROM PHENOL OR ANISOLE AND TRIBROMOETHYLENE OR TRICHLOROETHYLENE IN PRESENCE OF TRIFLUOROMETHANESULFONIC ACID | GENERAL ELECTRIC COMPANY (US) | 1979-02-13 | — | — | US | disclosed |