⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8230770 | 0.76 | — | — | |
| SCHEMBL13673852 | 0.74 | ANPEP (0.46) | — | |
| SCHEMBL56311 | 0.73 | ANPEP (0.65) | — | |
| SCHEMBL9517620 | 0.72 | ANPEP (0.44) | — | |
| Hydrochloric Acid SCHEMBL56763 | 0.70 | GMNN (0.63) | — | |
| SCHEMBL10343746 | 0.70 | ANPEP (0.61) | — | |
| SCHEMBL10438973 | 0.70 | — | — | |
| SCHEMBL4107403 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9112622 | 0.69 | GMNN (0.43) | — | |
| SCHEMBL18583485 | 0.68 | — | — |
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-2017070418-A1 | SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS | THE PROCTER & GAMBLE COMPANY (US) | 2017-04-27 | — | — | WO | disclosed |