⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL8976223 | 0.78 | ACHE (0.50) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8975730 | 0.75 | BCHE (0.40) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8975799 | 0.75 | BCHE (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8976067 | 0.73 | NSD2 (0.34) | — | |
| SCHEMBL8976156 | 0.64 | ACHE (0.43) | — | |
| SCHEMBL8975697 | 0.64 | BCHE (0.37) | — | |
| SCHEMBL8975983 | 0.60 | MAOA (0.43) | — | |
| SCHEMBL8976154 | 0.57 | MAPT (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL523876 | 0.54 | GPR3 (0.50) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL29576707 | 0.54 | GPR3 (0.50) | — |
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-5532261-A | TREATING STAPHYLOCOCCUS INFECTIONS | MERCK & CO., INC. (US) | 1996-07-02 | — | — | US | disclosed |