⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4919049 | 0.75 | — | — | |
| SCHEMBL10713168 | 0.68 | — | — | |
| SCHEMBL3654657 | 0.65 | — | — | |
| SCHEMBL1355431 | 0.64 | TSHR (0.37) | — | |
| SCHEMBL3818018 | 0.62 | — | — | |
| SCHEMBL7388366 | 0.62 | — | — | |
| SCHEMBL14099210 | 0.61 | — | — | |
| SCHEMBL16054564 | 0.60 | — | — | |
| SCHEMBL12157374 | 0.60 | — | — | |
| SCHEMBL819903 | 0.60 | CCR2 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0245357-B1 | ANGIOSTATIC STEROIDS | THE UPJOHN COMPANY (US) | 1991-08-07 | — | — | EP | claimed |
| US-4992541-A | Antiinflammatory, antidegenerative agents | MERCK & CO., INC. (US) | 1991-02-12 | — | — | US | claimed |
| EP-0411929-A1 | A process for the preparation of 1,1-dioxo-7-substituted cephems | MERCK & CO. INC. (US) | 1991-02-06 | — | — | EP | claimed |
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| EP-0719258-B1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMA CO LTD (JP) | 2001-10-31 | — | — | EP | disclosed |
| US-5786367-A | OXYGEN SCAVENGERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| CN-1130377-A | Cyclic amide derivatives | OTSUKA PHARMA CO LTD (JP) | 1996-09-04 | — | — | CN | disclosed |
| EP-0719258-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-03 | — | — | EP | disclosed |
| WO-1996002508-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-01 | — | — | WO | disclosed |
| US-4992541-A | Antiinflammatory, antidegenerative agents | MERCK & CO., INC. (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0411929-A1 | A process for the preparation of 1,1-dioxo-7-substituted cephems | MERCK & CO. INC. (US) | 1991-02-06 | — | — | EP | disclosed |