⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9635620 | 0.83 | AKR1B1 (0.46) | — | |
| SCHEMBL8477716 | 0.74 | — | — | |
| SCHEMBL4644033 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL442185 | 0.67 | — | — | |
| SCHEMBL5154677 | 0.65 | KDM4E (0.35) | — | |
| SCHEMBL12969347 | 0.65 | — | — | |
| Acetic Acid SCHEMBL15572170 | 0.63 | FFAR3 (0.39) | — | |
| Bicarbonate SCHEMBL9492164 | 0.63 | CA2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3506695 | 0.63 | — | — | |
| Butane SCHEMBL40275 | 0.61 | FFAR3 (0.54) | — |
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-5139791-A | Sulfonium salts | Nakajima, Kenji (JP) | 1992-08-18 | — | — | US | claimed |