⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6717846 | 0.73 | — | — | |
| SCHEMBL6721151 | 0.73 | — | — | |
| SCHEMBL4729582 | 0.73 | KDM5B (0.42) | — | |
| SCHEMBL6722099 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11259521 | 0.71 | — | — | |
| SCHEMBL2443222 | 0.69 | — | — | |
| SCHEMBL738576 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL8025047 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL9876461 | 0.69 | — | — | |
| SCHEMBL27977785 | 0.69 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111825611-B | 4(1H) -quinovone derivatives and uses thereof | 刘扶东 | 2022-09-09 | — | — | CN | disclosed |
| CN-114945572-A | HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia | 刘扶东 | 2022-08-26 | — | — | CN | disclosed |
| CN-111825611-A | 4(1H) -quinovone derivatives and uses thereof | 中央研究院 | 2020-10-27 | — | — | CN | disclosed |
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| EP-1187819-B1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AG (DE) | 2003-07-23 | — | — | EP | disclosed |
| EP-0772590-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-09 | — | — | EP | disclosed |
| EP-1218350-A1 | 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | disclosed |
| EP-1187820-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| EP-1187819-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| CN-1189824-A | 1-amino-3-benzyluracils | BASF AG (DE) | 1998-08-05 | — | — | CN | disclosed |
| EP-0835248-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-15 | — | — | EP | disclosed |
| US-5714485-A | Piperidine and hexahydropyridazine thrombin inhibitors | MERCK & CO., INC. (US) | 1998-02-03 | — | — | US | disclosed |
| WO-1997001543-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-16 | — | — | WO | disclosed |
| US-5510369-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0604491-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF Aktiengesellschaft (DE) | 1994-07-06 | — | — | EP | disclosed |
| WO-1993006090-A1 | SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-01 | — | — | WO | disclosed |
| US-4292427-A | BACTERICIDES | MERCK & CO., INC. (US) | 1981-09-29 | — | — | US | disclosed |
| US-4210750-A | BY TREATMENT OF 3-HYDROXYMETHYL DERIVATIVE WITH TRIFLUOROACETYL ISOCYANATE | MERCK & CO., INC. (US) | 1980-07-01 | — | — | US | disclosed |
| US-4160030-A | HISTAMINE ANTAGONIST, ANTISECRETORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-07-03 | — | — | US | disclosed |