⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2846172 | 0.93 | MAPT (0.33) | — | |
| SCHEMBL15009202 | 0.74 | — | — | |
| SCHEMBL24355229 | 0.73 | — | — | |
| SCHEMBL5016781 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL28384081 | 0.71 | — | — | |
| SCHEMBL11598728 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL12234981 | 0.70 | SLC6A4 (0.32) | — | |
| SCHEMBL1110269 | 0.70 | SLC6A4 (0.32) | — | |
| SCHEMBL4419045 | 0.70 | MAPT (0.35) | — | |
| SCHEMBL12367678 | 0.69 | EPHX1 (0.31) | — |
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-2010063739-A1 | POLYURETHANE COMPOSITION COMPRISING HYDROXYALDIMINES | SIKA TECHNOLOGY AG (CH) | 2010-06-10 | — | — | WO | disclosed |