⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9855052 | 1.00 | — | — | |
| SCHEMBL9854879 | 1.00 | — | — | |
| SCHEMBL14205827 | 0.80 | — | — | |
| SCHEMBL289405 | 0.80 | — | — | |
| SCHEMBL16111864 | 0.77 | ALDH1A1 (0.55) | — | |
| SCHEMBL2268705 | 0.77 | — | — | |
| SCHEMBL19284195 | 0.77 | — | — | |
| SCHEMBL180137 | 0.77 | — | — | |
| SCHEMBL10884773 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL7139174 | 0.74 | ALDH1A1 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9238657-B2 | Cephalosporin having catechol group | SHIONOGI & CO., LTD. (JP) | 2016-01-19 | — | — | US | disclosed |
| US-9238657-B2 | Cephalosporin having catechol group | SHIONOGI & CO., LTD. (JP) | 2016-01-19 | — | — | US | disclosed |
| EP-2341053-B1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO (JP) | 2016-01-13 | — | — | EP | disclosed |
| US-9145425-B2 | Cephem compound having catechol group | SHIONOGI & CO., LTD. (JP) | 2015-09-29 | — | — | US | disclosed |
| US-9145425-B2 | Cephem compound having catechol group | SHIONOGI & CO., LTD. (JP) | 2015-09-29 | — | — | US | disclosed |
| EP-2557082-A1 | CEPHEM COMPOUND HAVING CATECHOL GROUP | Shionogi & Co., Ltd. (JP) | 2013-02-13 | — | — | EP | disclosed |
| US-20110190254-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2011-08-04 | — | — | US | disclosed |
| US-20110190254-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2011-08-04 | — | — | US | disclosed |
| EP-2341053-A1 | CEPHALOSPORIN HAVING CATECHOL GROUP | Shionogi & Co., Ltd. (JP) | 2011-07-06 | — | — | EP | disclosed |
| US-5071843-A | Thienamycin antibiotics with delayed metabolism | MERCK & CO., INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0161546-B1 | COMBINATION OF 2-SUBSTITUTED CARBAPENEMS WITH DIPEPTIDASE INHIBITORS | MERCK & CO. INC. (US) | 1989-12-13 | — | — | EP | disclosed |
| EP-0161546-A1 | Combination of 2-substituted carbapenems with dipeptidase inhibitors | MERCK & CO. INC. (US) | 1985-11-21 | — | — | EP | disclosed |