⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9641389 | 0.78 | — | — | |
| SCHEMBL2549521 | 0.68 | — | — | |
| SCHEMBL9518834 | 0.63 | — | — | |
| SCHEMBL5820358 | 0.56 | MAOB (0.50) | — | |
| SCHEMBL10681184 | 0.56 | KCNA5 (0.31) | — | |
| SCHEMBL4756277 | 0.56 | ITGB3 (0.35) | — | |
| SCHEMBL4188691 | 0.55 | — | — | |
| SCHEMBL6039706 | 0.53 | — | — | |
| SCHEMBL2351922 | 0.53 | — | — | |
| SCHEMBL349705 | 0.52 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4323676-A | Process for preparing cephalosporins | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-04-06 | — | — | US | claimed |
| US-4232151-A | ANTIBIOTICS | SHIONOGI & CO., LTD. (JP) | 1980-11-04 | — | — | US | claimed |
| US-4269773-A | CEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1981-05-26 | — | — | US | disclosed |
| US-4232151-A | ANTIBIOTICS | SHIONOGI & CO., LTD. (JP) | 1980-11-04 | — | — | US | disclosed |
| US-4223132-A | Selective conversion of benzyl alcohol carboxylates to the free acid form | SHIONOGI & CO., LTD. (JP) | 1980-09-16 | — | — | US | disclosed |
| US-4182866-A | CEPHALOSPORINS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1980-01-08 | — | — | US | disclosed |
| US-4159984-A | METAL AND PROTON DONOR | SHIONOGI & CO., LTD. (JP) | 1979-07-03 | — | — | US | disclosed |