⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27598983 | 0.77 | — | — | |
| SCHEMBL29606609 | 0.76 | CYP3A4 (0.37) | — | |
| SCHEMBL28353922 | 0.75 | — | — | |
| SCHEMBL29055429 | 0.74 | — | — | |
| Bromide SCHEMBL29143507 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28838306 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29152433 | 0.74 | — | — | |
| SCHEMBL28489239 | 0.71 | — | — | |
| SCHEMBL28413329 | 0.71 | — | — | |
| SCHEMBL28367256 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103221416-B | Containing phosphate mixture, Its Preparation Method And Use | CLARIANT FINANCE (BVI) LTD. (VG) | 2016-04-20 | — | — | CN | disclosed |