⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL158572 | 0.79 | BBOX1 (0.58) | — | |
| SCHEMBL3142465 | 0.73 | — | — | |
| Benzene Selenoic Acid SCHEMBL1440596 | 0.73 | — | — | |
| Benzene Selenoic Acid SCHEMBL27636752 | 0.71 | BBOX1 (0.94) | — | |
| Benzene Selenoic Acid SCHEMBL8752793 | 0.71 | BBOX1 (0.50) | — | |
| Benzene Selenoic Acid SCHEMBL8752795 | 0.71 | BBOX1 (0.94) | — | |
| SCHEMBL1165959 | 0.71 | BBOX1 (0.50) | — | |
| Benzene Selenoic Acid SCHEMBL28844455 | 0.71 | BBOX1 (0.94) | — | |
| SCHEMBL1127796 | 0.69 | BBOX1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL6803177 | 0.69 | BBOX1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997002268-A1 | 7,7-DISUBSTITUTED CEPHEM-4-KETONES | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-01-23 | — | — | WO | claimed |
| EP-0781286-A1 | 7,7-DISUBSTITUTED CEPHEM-4-KETONES | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-07-02 | — | — | EP | disclosed |
| WO-1997002268-A1 | 7,7-DISUBSTITUTED CEPHEM-4-KETONES | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-01-23 | — | — | WO | disclosed |