⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93338 | 0.87 | ALDH1A1 (0.44) | — | |
| SCHEMBL28032778 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL11758173 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL13174858 | 0.77 | — | — | |
| SCHEMBL43422 | 0.73 | — | — | |
| SCHEMBL842522 | 0.73 | — | — | |
| SCHEMBL28783910 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL10878469 | 0.71 | LMNA (0.38) | — | |
| SCHEMBL27472108 | 0.71 | — | — | |
| Glutarate SCHEMBL28723065 | 0.70 | SLC22A6 (0.55) | — |
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-20170246302-A1 | POLYMER COATING COMPOSITIONS AND COATED PRODUCTS | ARISTE MEDICAL, LLC | 2017-08-31 | — | — | US | disclosed |