⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9225822 | 0.75 | CA2 (0.31) | — | |
| SCHEMBL27585902 | 0.73 | — | — | |
| SCHEMBL28068159 | 0.71 | — | — | |
| SCHEMBL19285917 | 0.71 | — | — | |
| SCHEMBL417183 | 0.71 | — | — | |
| SCHEMBL28032273 | 0.71 | — | — | |
| SCHEMBL8519026 | 0.69 | CA12 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL10911537 | 0.69 | — | — | |
| SCHEMBL491384 | 0.69 | — | — | |
| SCHEMBL29763166 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106432337-A | Fosaprepitant derivative, synthesis thereof, and use thereof in long acting preparation | 陕西合成药业股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106432339-A | Voriconazole derivative, synthesis thereof, and use thereof in long-acting preparation | 陕西合成药业股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106432338-A | Posaconazole derivative, synthesis and application in prolonged action preparation thereof | 陕西合成药业股份有限公司 | 2017-02-22 | — | — | CN | disclosed |