⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15185014 | 0.85 | — | — | |
| SCHEMBL8199262 | 0.83 | — | — | |
| SCHEMBL7134328 | 0.80 | — | — | |
| SCHEMBL19472577 | 0.76 | — | — | |
| SCHEMBL15180877 | 0.70 | — | — | |
| SCHEMBL29462115 | 0.70 | FABP3 (0.30) | — | |
| SCHEMBL7133299 | 0.60 | — | — | |
| SCHEMBL11705588 | 0.53 | CYP1A2 (0.33) | — | |
| Ethylene Glycol SCHEMBL29212815 | 0.53 | DPP4 (0.37) | — | |
| Mellitic Acid SCHEMBL22971 | 0.53 | CYP1A2 (0.50) | — |
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-2012062975-A1 | NOVEL TRIARYLMETHYL RADICALS: PREPARATION AND USE THEREOF | PHOSPHOENIX SARL (FR) | 2012-05-18 | — | — | WO | disclosed |