⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3078982 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL8864879 | 0.71 | — | — | |
| SCHEMBL8864889 | 0.71 | — | — | |
| Acetic Acid SCHEMBL3852484 | 0.70 | FFAR3 (0.38) | — | |
| SCHEMBL18528430 | 0.69 | — | — | |
| SCHEMBL16188180 | 0.67 | — | — | |
| SCHEMBL15257797 | 0.67 | — | — | |
| SCHEMBL3273056 | 0.67 | — | — | |
| SCHEMBL16915326 | 0.65 | — | — | |
| SCHEMBL8641652 | 0.65 | — | — |
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-6048390-A | DYE HAVING AT LEAST ONE CARBOXYL GROUP IN THE FORM OF A FREE ACID; A SECONDARY OR TERTIARY AMINE; ALKALI METAL HYDROXIDE | FUJI XEROX CO., LTD. (JP) | 2000-04-11 | — | — | US | disclosed |