⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166454 | 1.00 | — | — | |
| Benzene SCHEMBL11242418 | 0.95 | FFAR3 (0.38) | — | |
| SCHEMBL31174525 | 0.88 | ALDH1A1 (0.37) | — | |
| SCHEMBL2546877 | 0.84 | ALDH1A1 (0.41) | — | |
| Toluene SCHEMBL6905809 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL10412722 | 0.81 | ACE2 (0.47) | — | |
| SCHEMBL16612661 | 0.79 | TDP1 (0.41) | — | |
| Methylmalonic Acid SCHEMBL995094 | 0.79 | FFAR3 (0.62) | — | |
| SCHEMBL28279631 | 0.79 | TDP1 (0.37) | — | |
| SCHEMBL93138 | 0.78 | HDAC1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0551305-A4 | — | — | 1994-03-30 | — | — | EP | disclosed |