⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7758017 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL7757402 | 0.84 | — | — | |
| SCHEMBL7753319 | 0.84 | — | — | |
| SCHEMBL7757407 | 0.82 | — | — | |
| SCHEMBL7753374 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL7753307 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL7792538 | 0.69 | — | — | |
| SCHEMBL7755961 | 0.69 | — | — | |
| SCHEMBL10883850 | 0.69 | DGAT1 (0.39) | — | |
| SCHEMBL1948440 | 0.67 | ALDH1A1 (0.41) | — |
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-5866712-A | POLYMERIZATION AND CURING CATALYSTS | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1999-02-02 | — | — | US | disclosed |