⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL875791 | 0.78 | EPHX1 (0.43) | — | |
| SCHEMBL3069363 | 0.78 | EPHX1 (0.46) | — | |
| SCHEMBL4723133 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3813220 | 0.75 | EPHX1 (0.45) | — | |
| SCHEMBL2861497 | 0.75 | — | — | |
| SCHEMBL21929713 | 0.73 | — | — | |
| SCHEMBL8417913 | 0.73 | EPHX1 (0.40) | — | |
| SCHEMBL21929526 | 0.73 | — | — | |
| SCHEMBL8740454 | 0.71 | — | — | |
| SCHEMBL7797378 | 0.71 | — | — |
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-4144261-A | HALOGENATION, SULFIDING | UNION CARBIDE CORPORATION (US) | 1979-03-13 | — | — | US | disclosed |