⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13495918 | 0.86 | — | — | |
| SCHEMBL19868155 | 0.79 | CES1 (0.32) | — | |
| SCHEMBL25513623 | 0.77 | TP53 (0.35) | — | |
| SCHEMBL25513620 | 0.77 | TP53 (0.35) | — | |
| SCHEMBL25513627 | 0.75 | TP53 (0.36) | — | |
| SCHEMBL22916089 | 0.73 | NOS1 (0.42) | — | |
| SCHEMBL19863445 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL19857887 | 0.67 | TP53 (0.31) | — | |
| SCHEMBL164262 | 0.67 | CA12 (0.39) | — | |
| SCHEMBL13732129 | 0.65 | CES1 (0.30) | — |
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-2010020008-A1 | POLYMER COATINGS | POLYMERS CRC LIMITED (AU) | 2010-02-25 | — | — | WO | disclosed |