⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4169727 | 0.82 | — | — | |
| SCHEMBL6625298 | 0.79 | — | — | |
| SCHEMBL6199343 | 0.77 | — | — | |
| SCHEMBL11283009 | 0.76 | — | — | |
| SCHEMBL6198674 | 0.76 | — | — | |
| SCHEMBL3388541 | 0.75 | TP53 (0.38) | — | |
| SCHEMBL775291 | 0.75 | TP53 (0.38) | — | |
| SCHEMBL16363528 | 0.75 | TP53 (0.38) | — | |
| SCHEMBL3884085 | 0.73 | ACHE (0.40) | — | |
| SCHEMBL12283711 | 0.73 | ACHE (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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643707-A1 | THIADIAZOLINES AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 1995-03-22 | — | — | EP | claimed |
| WO-1993024474-A1 | THIADIAZOLINES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | claimed |
| US-4960768-A | Acyloxythiophene-carboxamide fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-02 | — | — | US | claimed |
| US-4863954-A | Acyloxythiophene-carboxamide fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-05 | — | — | US | claimed |
| EP-0241735-A2 | Acyloxythiophene carbon amide | BAYER AG (DE) | 1987-10-21 | — | — | EP | claimed |
| CN-107522641-A | Biaryl ureas analog derivative or its salt and its production and use | 复旦大学 | 2017-12-29 | — | — | CN | disclosed |
| US-9682938-B2 | Pyrazolone derivatives as nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| EP-3148972-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015183839-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | WO | disclosed |
| US-20150344437-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | THE JOHNS HOPKINS UNIVERSITY | 2015-12-03 | — | — | US | disclosed |
| EP-0927555-B1 | Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumours, tumour-related disorders and cachexia | DAIICHI SANKYO CO LTD (JP) | 2011-10-05 | — | — | EP | disclosed |
| US-7745481-B2 | Methods and compositions for the treatment and prevention of tumors, tumor-related disorders and cachexia | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-06-29 | — | — | US | disclosed |
| US-4767757-A | Acyloxythiophene-carboxamide fungicides, compositions and use | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-30 | — | — | US | disclosed |
| US-4738959-A | Antibacterial penem derivatives | HOECHST UK LIMITED (GB) | 1988-04-19 | — | — | US | disclosed |
| EP-0241735-A2 | Acyloxythiophene carbon amide | BAYER AG (DE) | 1987-10-21 | — | — | EP | disclosed |
| EP-0150433-B1 | PROCESS FOR THE PREPARATION OF INSATURATED KETONES | BASF Aktiengesellschaft (DE) | 1986-12-30 | — | — | EP | disclosed |
| EP-0202760-A2 | Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-11-26 | — | — | EP | disclosed |
| EP-0154190-A1 | Pyridones | MERCK PATENT GmbH (DE) | 1985-09-11 | — | — | EP | disclosed |
| EP-0150433-A2 | Process for the preparation of insaturated ketones | BASF Aktiengesellschaft (DE) | 1985-08-07 | — | — | EP | disclosed |
| EP-0099059-A1 | Antibacterial penem derivatives | HOECHST UK LIMITED (GB) | 1984-01-25 | — | — | EP | disclosed |