⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21723962 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL1146702 | 0.74 | — | — | |
| SCHEMBL13113218 | 0.73 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11622069 | 0.72 | — | — | |
| SCHEMBL10350088 | 0.70 | — | — | |
| SCHEMBL10350051 | 0.70 | — | — | |
| SCHEMBL20529768 | 0.70 | — | — | |
| SCHEMBL8076850 | 0.70 | — | — | |
| SCHEMBL15031188 | 0.70 | — | — | |
| SCHEMBL29486364 | 0.70 | ALDH1A1 (0.32) | — |
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-2009124167-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |