⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16748752 | 0.77 | TP53 (0.34) | — | |
| SCHEMBL16748757 | 0.76 | S1PR2 (0.33) | — | |
| SCHEMBL9915355 | 0.73 | COMT (0.38) | — | |
| SCHEMBL9915493 | 0.73 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL15279057 | 0.73 | TP53 (0.33) | — | |
| SCHEMBL9915322 | 0.71 | CYP1A2 (0.34) | — | |
| SCHEMBL14136527 | 0.71 | PPARD (0.43) | — | |
| SCHEMBL14136604 | 0.71 | USP2 (0.45) | — | |
| SCHEMBL9915436 | 0.69 | FAAH (0.36) | — | |
| SCHEMBL14136603 | 0.69 | USP2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2646436-B1 | MONOBACTAMS | PFIZER (US) | 2015-05-27 | — | — | EP | disclosed |