⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL946295 | 0.97 | CES2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL942745 | 0.95 | CES2 (0.39) | — | |
| SCHEMBL180426 | 0.77 | — | — | |
| SCHEMBL513579 | 0.75 | — | — | |
| Magnesium SCHEMBL6436089 | 0.74 | CES2 (0.50) | — | |
| SCHEMBL15271850 | 0.74 | CES2 (0.50) | — | |
| SCHEMBL1402428 | 0.73 | CES2 (0.40) | — | |
| Fluoride SCHEMBL942752 | 0.73 | ACHE (0.41) | — | |
| Fluoride SCHEMBL942755 | 0.73 | ACHE (0.41) | — | |
| Fluoride SCHEMBL944541 | 0.73 | ACHE (0.41) | — |
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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230312471-A1 | CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES | Universität Konstanz (DE) | 2023-10-05 | — | — | US | claimed |
| EP-4204089-A1 | CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES | Universität Konstanz (DE) | 2023-07-05 | — | — | EP | claimed |
| JP-2004531514-A | — | — | 2004-10-14 | — | — | JP | claimed |
| EP-1381369-A1 | USE OF SELECTIVE COX-2 INHIBITORS FOR THE TREATMENT OF URINARY INCONTINENCE | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) | 2004-01-21 | — | — | EP | claimed |
| WO-2002080927-A1 | USE OF SELECTIVE COX-2 INHIBITORS FOR THE TREATMENT OF URINARY INCONTINENCE | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) | 2002-10-17 | — | — | WO | claimed |
| US-6440963-B1 | Use of selective COX-2 inhibitors for the treatment of urinary incontinence | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 2002-08-27 | — | — | US | claimed |
| US-20230312471-A1 | CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES | Universität Konstanz (DE) | 2023-10-05 | — | — | US | disclosed |
| EP-4204089-A1 | CHEMICAL PROBES AND INHIBITORS FOR POLYPEPTIDES OF SARS CORONAVIRUSES | Universität Konstanz (DE) | 2023-07-05 | — | — | EP | disclosed |
| EP-2123695-B1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | MITSUI CHEMICALS INC (JP) | 2021-06-23 | — | — | EP | disclosed |
| CN-106459523-B | The manufacturing method of resin combination, cross-linking agent and cross-linking agent | 住友化学株式会社 | 2019-11-19 | — | — | CN | disclosed |
| US-9963451-B2 | Fused ring pyrimidine compound and pest control agent containing the same | MITSUI CHEMICALS AGRO, INC. (JP) | 2018-05-08 | — | — | US | disclosed |
| EP-2314637-B1 | COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION | MITSUI CHEMICALS INC (JP) | 2017-07-12 | — | — | EP | disclosed |
| US-9635857-B2 | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-05-02 | — | — | US | disclosed |
| US-5272163-A | Therapeutic amides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-21 | — | — | US | disclosed |
| EP-0524781-A1 | Therapeutic amides | ZENECA LIMITED (GB) | 1993-01-27 | — | — | EP | disclosed |
| US-4728646-A | ANTITHROMBOTICS | DR. KARL THOMAE GMBH (DE) | 1988-03-01 | — | — | US | disclosed |
| US-4690923-A | ANTITHROMBOTICS | KARL THOMAE GMBH (DE) | 1987-09-01 | — | — | US | disclosed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | disclosed |
| EP-0023559-A1 | 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |