⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14592999 | 0.70 | — | — | |
| SCHEMBL3749892 | 0.69 | TACR3 (0.32) | — | |
| SCHEMBL14593306 | 0.67 | — | — | |
| SCHEMBL14593155 | 0.67 | — | — | |
| SCHEMBL14593054 | 0.65 | — | — | |
| SCHEMBL14593160 | 0.63 | — | — | |
| SCHEMBL6913448 | 0.58 | CHRM1 (0.49) | — | |
| SCHEMBL8405154 | 0.58 | CHRM2 (0.36) | — | |
| SCHEMBL10433194 | 0.55 | CHRM1 (0.51) | — | |
| SCHEMBL14593128 | 0.54 | GABRR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7163936-B2 | β-lactam compounds and process for producing the same | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-01-16 | — | — | US | disclosed |