⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7186377 | 0.77 | — | — | |
| SCHEMBL30356260 | 0.76 | ALOX15 (0.31) | — | |
| Carbamic Acid SCHEMBL28877191 | 0.75 | CYP1A2 (0.39) | — | |
| SCHEMBL3620982 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL3805266 | 0.73 | CYP4F2 (0.31) | — | |
| Carbamic Acid SCHEMBL29039766 | 0.73 | ALOX15 (0.37) | — | |
| SCHEMBL15011460 | 0.71 | — | — | |
| SCHEMBL7936281 | 0.71 | ALOX15 (0.36) | — | |
| Carbamic Acid SCHEMBL28088106 | 0.71 | ALOX15 (0.36) | — | |
| SCHEMBL336276 | 0.71 | THRB (0.36) | — |
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-2013029090-A1 | CORROSION RESISTANT COATINGS FOR ALUMINIUM AND ALUMINIUM ALLOYS | FLINDERS UNIVERSITY OF SOUTH AUSTRALIA (AU) | 2013-03-07 | — | — | WO | disclosed |