⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29011282 | 0.72 | SOS1 (0.32) | — | |
| SCHEMBL10484400 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL2767779 | 0.69 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL11633280 | 0.65 | — | — | |
| SCHEMBL4011907 | 0.65 | — | — | |
| SCHEMBL11705640 | 0.61 | SIGMAR1 (0.31) | — | |
| SCHEMBL5205375 | 0.61 | — | — | |
| SCHEMBL7191074 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL11710617 | 0.60 | HRH3 (0.35) | — | |
| SCHEMBL10586015 | 0.60 | KDM4E (0.33) | — |
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-1998045385-A1 | COMPOSITION INHIBITING RADICAL POLYMERISATION OF ETHYLENICALLY UNSATURATED MONOMERS AND METHOD FOR INHIBITING RADICAL POLYMERISATION OF SAID MONOMERS | RHODIA-CHIMIE (FR) | 1998-10-15 | — | — | WO | disclosed |