⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12457076 | 0.79 | PNMT (0.62) | — | |
| SCHEMBL8150884 | 0.78 | APOBEC3G (0.39) | — | |
| SCHEMBL672407 | 0.77 | IDO1 (0.62) | — | |
| SCHEMBL6740216 | 0.77 | TAAR1 (0.71) | — | |
| SCHEMBL29519238 | 0.77 | IDO1 (0.62) | — | |
| SCHEMBL8349402 | 0.75 | AKR1B1 (0.43) | — | |
| SCHEMBL126469 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL21633813 | 0.72 | IDO1 (0.56) | — | |
| Bromide SCHEMBL5111069 | 0.72 | IDO1 (0.56) | — | |
| SCHEMBL2290388 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049104-B1 | PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS | GLAXOSMITHKLINE LLC (US) | 2012-09-19 | — | — | EP | disclosed |
| EP-1919920-B1 | PENTACYCLIC KINASE INHIBITORS | GENENTECH INC (US) | 2011-05-18 | — | — | EP | disclosed |