⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7974928 | 0.85 | FDPS (0.42) | — | |
| SCHEMBL15070418 | 0.79 | FDPS (0.36) | — | |
| SCHEMBL8674048 | 0.67 | LMNA (0.53) | — | |
| SCHEMBL1400935 | 0.62 | — | — | |
| Phosphoric Acid SCHEMBL8074370 | 0.58 | CA2 (0.33) | — | |
| SCHEMBL7268279 | 0.58 | ALDH1A1 (0.43) | — | |
| Pyrimidine SCHEMBL454436 | 0.58 | FDPS (0.34) | — | |
| Pyrimidine SCHEMBL988740 | 0.58 | FDPS (0.34) | — | |
| Pyrimidine SCHEMBL4154828 | 0.58 | FDPS (0.34) | — | |
| Pyrimidine SCHEMBL4140222 | 0.58 | FDPS (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4125875-A1 | AN NK-1 RECEPTOR ANTAGONIST FOR TREATING A DISEASE SELECTING FROM SEPSIS, SEPTIC SHOCK,, ACUTE RESPIRATORY DISTRESS SYNDROME (ARDS) OR MULTIPLE ORGAN DYSFUNCTION SYNDROME (MODS) | NeRRe Therapeutics Limited (GB) | 2023-02-08 | — | — | EP | disclosed |
| EP-0145314-A1 | Antifungal triazole compound | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-06-19 | — | — | EP | disclosed |