⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16297377 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL485077 | 0.78 | — | — | |
| SCHEMBL2028469 | 0.78 | — | — | |
| SCHEMBL485564 | 0.78 | — | — | |
| SCHEMBL28168514 | 0.78 | — | — | |
| SCHEMBL27081725 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL485563 | 0.76 | DGAT1 (0.43) | — | |
| SCHEMBL14485423 | 0.76 | DGAT1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL4390742 | 0.76 | DGAT1 (0.43) | — | |
| SCHEMBL12860069 | 0.76 | DGAT1 (0.48) | — |
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-2004046153-A1 | PRODRUG ESTERS OF CEFTRIAXONE | RANBAXY LABORATORIES LIMITED (IN) | 2004-06-03 | — | — | WO | claimed |