⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1000900 | 0.81 | CYP19A1 (0.65) | — | |
| SCHEMBL29419578 | 0.80 | — | — | |
| SCHEMBL250060 | 0.80 | — | — | |
| SCHEMBL10899216 | 0.79 | CYP19A1 (0.62) | — | |
| SCHEMBL2774526 | 0.79 | CYP19A1 (0.86) | — | |
| SCHEMBL29664559 | 0.79 | CYP19A1 (0.86) | — | |
| SCHEMBL2774532 | 0.79 | CYP19A1 (0.86) | — | |
| Hydrochloric Acid SCHEMBL31254145 | 0.78 | CYP19A1 (0.56) | — | |
| SCHEMBL11288405 | 0.75 | CYP19A1 (0.91) | — | |
| SCHEMBL4730809 | 0.75 | — | — |
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-2170869-A1 | ALCOHOLS CONTAINING IMIDE MOIETIES AND REACTIVE OLIGOMERS PREPARED THEREFROM | Henkel AG & Co. KGaA (DE) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009014541-A1 | ALCOHOLS CONTAINING IMIDE MOIETIES AND REACTIVE OLIGOMERS PREPARED THEREFROM | HENKEL AG & CO. KGAA (DE) | 2009-01-29 | — | — | WO | disclosed |