⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9810171 | 0.77 | FAAH (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL10681186 | 0.74 | FAAH (0.38) | — | |
| SCHEMBL28700624 | 0.70 | TSHR (0.32) | — | |
| Acetic Acid SCHEMBL4332203 | 0.70 | CES1 (0.41) | — | |
| Fluoroacetate SCHEMBL10481843 | 0.70 | CASP1 (0.44) | — | |
| SCHEMBL10681448 | 0.67 | FAAH (0.33) | — | |
| SCHEMBL5957144 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL60281 | 0.63 | — | — | |
| SCHEMBL4856362 | 0.63 | — | — | |
| SCHEMBL10627382 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0318486-B1 | ORGANOTIN COMPOUNDS CONTAINING FLUORINE USEFUL FOR FORMING FLUORINE-DOPED TIN OXIDE COATING | ATOCHEM NORTH AMERICA, INC. (US) | 1991-05-29 | — | — | EP | claimed |
| EP-0318486-A1 | ORGANOTIN COMPOUNDS CONTAINING FLUORINE USEFUL FOR FORMING FLUORINE-DOPED TIN OXIDE COATING. | M & T CHEMICALS INC (US) | 1989-06-07 | — | — | EP | claimed |
| US-4731462-A | Organotin compounds containing fluorine useful for forming fluorine-doped tin oxide coating | M&T CHEMICALS INC. (US) | 1988-03-15 | — | — | US | claimed |
| WO-1988000588-A1 | ORGANOTIN COMPOUNDS CONTAINING FLUORINE USEFUL FOR FORMING FLUORINE-DOPED TIN OXIDE COATING | M & T CHEMICALS, INC. (US) | 1988-01-28 | — | — | WO | claimed |