⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15786214 | 0.74 | — | — | |
| SCHEMBL19569141 | 0.73 | — | — | |
| SCHEMBL260629 | 0.69 | — | — | |
| SCHEMBL17262105 | 0.69 | — | — | |
| SCHEMBL11237588 | 0.69 | ACHE (0.31) | — | |
| Ethylamine SCHEMBL770791 | 0.69 | — | — | |
| SCHEMBL503561 | 0.69 | — | — | |
| SCHEMBL21089331 | 0.67 | — | — | |
| SCHEMBL17151011 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4696491 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105130900-B | Antifungal pyrazoles | 纳幕尔杜邦公司 | 2018-05-22 | — | — | CN | disclosed |
| US-20070021616-A1 | Zoledronic acid crystal forms, zoledronate sodium salt crystal forms, amorphous zoledronate sodium salt, and processes for their preparation | ARONHIME JUDITH | 2007-01-25 | — | — | US | disclosed |