⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11401391 | 0.79 | — | — | |
| SCHEMBL4137029 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL27591892 | 0.75 | — | — | |
| SCHEMBL125115 | 0.73 | — | — | |
| SCHEMBL7753480 | 0.73 | — | — | |
| SCHEMBL10712673 | 0.72 | ALDH1A1 (0.35) | — | |
| Guanidine SCHEMBL9173146 | 0.71 | CYP2C19 (0.37) | — | |
| Bromide SCHEMBL8373854 | 0.71 | LMNA (0.35) | — | |
| Hydrochloric Acid SCHEMBL3026920 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8373770 | 0.71 | KDM4E (0.40) | — |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3957627-B1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | SHIONOGI & CO (JP) | 2024-06-19 | — | — | EP | disclosed |
| CN-117003642-A | Synthesis method of Ensitrelvir key intermediate | 上海璨谊生物科技有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-117003642-A | Synthesis method of Ensitrelvir key intermediate | 上海璨谊生物科技有限公司 | 2023-11-07 | — | — | CN | disclosed |
| US-11685740-B2 | Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2023-06-27 | — | — | US | disclosed |
| CN-110072862-B | Bicyclic nitrogen-containing heterocyclic derivative and pharmaceutical composition containing the same | 盐野义制药株式会社 | 2022-05-13 | — | — | CN | disclosed |
| EP-3957627-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Shionogi & Co., Ltd (JP) | 2022-02-23 | — | — | EP | disclosed |
| US-20210317125-A1 | BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-10-14 | — | — | US | disclosed |
| US-20210292283-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-09-23 | — | — | US | disclosed |
| US-11124486-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2021-09-21 | — | — | US | disclosed |
| US-11066409-B2 | Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2021-07-20 | — | — | US | disclosed |
| EP-0215435-B1 | 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-5037976-A | Antimicrobial Agent | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| US-4898859-A | 2-Oxa-isocephem compounds and compositions containing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-02-06 | — | — | US | disclosed |
| US-4831026-A | ANTIBIOTICS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1989-05-16 | — | — | US | disclosed |
| US-4792628-A | ANTIOXIDANTS, ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-12-20 | — | — | US | disclosed |
| EP-0282895-A2 | 2-oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-09-21 | — | — | EP | disclosed |
| EP-0215435-A1 | 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-03-25 | — | — | EP | disclosed |
| US-4323704-A | ENZYME INHIBITORS USEFUL AGAINST BACTERIA, FUNGUS AND VIRAL INFECTIONS, MALE ANTIFERTILITY AGENTS, IMMUNO-SUPPRESSANTS, AND ANTITUMOR ACTIVITY | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-04-06 | — | — | US | disclosed |
| US-4267374-A | BACTERICIDES; VIRICIDES; FUNGICIDES; INHIBITORS OF HYDROLASE ENZYMES; INTERMEDIATE FOR CEPHALOSPORIN COMPOUND | MERRELL TORAUDE ET COMPAGNIE (FR) | 1981-05-12 | — | — | US | disclosed |
| US-4088667-A | ANTIBACTERIAL AGENTS, PHARMACOLOGICAL INTERMEDIATES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1978-05-09 | — | — | US | disclosed |