⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28140979 | 0.84 | POLB (0.50) | — | |
| SCHEMBL4031720 | 0.76 | FFAR3 (0.43) | — | |
| SCHEMBL190142 | 0.75 | — | — | |
| SCHEMBL7638652 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1372491 | 0.73 | — | — | |
| SCHEMBL9637101 | 0.71 | — | — | |
| SCHEMBL15571888 | 0.71 | POLB (0.50) | — | |
| SCHEMBL12968192 | 0.71 | — | — | |
| SCHEMBL16793313 | 0.71 | — | — | |
| SCHEMBL3384865 | 0.71 | POLB (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-5139791-A | Sulfonium salts | Nakajima, Kenji (JP) | 1992-08-18 | — | — | US | claimed |