⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431693 | 0.64 | — | — | |
| SCHEMBL7369154 | 0.60 | — | — | |
| SCHEMBL3813633 | 0.59 | — | — | |
| SCHEMBL13057883 | 0.59 | INMT (0.32) | — | |
| SCHEMBL21363782 | 0.59 | — | — | |
| SCHEMBL20077862 | 0.58 | — | — | |
| SCHEMBL19186778 | 0.57 | — | — | |
| SCHEMBL10500805 | 0.56 | CHRM2 (0.31) | — | |
| SCHEMBL7281792 | 0.56 | CYP2A6 (0.38) | — | |
| SCHEMBL9744938 | 0.55 | — | — |
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-5536578-A | LUBRICITY, SLIDING DURABILITY, HYDROPHOBIC PROPERTIES | HITACHI, LTD. (JP) | 1996-07-16 | — | — | US | disclosed |