⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7356915 | 0.62 | TP53 (0.32) | — | |
| SCHEMBL7363898 | 0.62 | TP53 (0.32) | — | |
| SCHEMBL32677595 | 0.58 | POLB (0.39) | — | |
| SCHEMBL31124089 | 0.58 | POLB (0.39) | — | |
| Acetic Acid SCHEMBL1023506 | 0.55 | — | — | |
| Acetic Acid SCHEMBL9623142 | 0.55 | — | — | |
| Bicarbonate SCHEMBL139212 | 0.53 | — | — | |
| SCHEMBL23829672 | 0.52 | — | — | |
| Acetic Acid SCHEMBL1238129 | 0.52 | — | — | |
| SCHEMBL9782992 | 0.52 | POLB (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997012865-A1 | SYMMETRICAL BISHETEROARYL-METHOXYPHENYL-IMINOXYALKYL-CARBOXYLATES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1997-04-10 | — | — | WO | disclosed |