⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6922206 | 0.65 | — | — | |
| SCHEMBL4963192 | 0.65 | — | — | |
| SCHEMBL8632065 | 0.56 | — | — | |
| SCHEMBL8318561 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL8636532 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL362152 | 0.41 | — | — | |
| Hydrochloric Acid SCHEMBL29453380 | 0.41 | — | — | |
| Hydrochloric Acid SCHEMBL72335 | 0.41 | — | — | |
| Benzene SCHEMBL23388152 | 0.39 | TSHR (0.60) | — | |
| Benzene SCHEMBL1572970 | 0.39 | — | — |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024099992-A1 | TRIAZINONE DERIVATIVES AS NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2024-05-16 | — | — | WO | claimed |
| CN-108752349-A | A kind of environmental type priming and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-11-06 | — | — | CN | claimed |
| CN-1179753-C | Contraceptive compositions contaiing antiprogesting and progestinic | — | 2004-12-15 | — | — | CN | claimed |
| CN-1474652-A | Substituted 4,5-dihydro-1,2,4-triazin -6-ones, 1,2,4-triazin-6-ones, and their use as fungicides and insecticides | �ݶ�ũ������˾ | 2004-02-11 | — | — | CN | claimed |
| CN-1291892-A | Substituted oxoazaheterocyclyl factor Xa inhibitors | AWENTIS PHARMACEUTICAL INC (US) | 2001-04-18 | — | — | CN | claimed |
| WO-1999007352-A2 | METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1999-02-18 | — | — | WO | claimed |
| US-4338441-A | CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND | WILLIAM H. RORER, INC. (US) | 1982-07-06 | — | — | US | claimed |
| WO-2024099996-A1 | TRIAZINONE DERIVATIVES AS NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2024-05-16 | — | — | WO | disclosed |
| CN-117820320-A | Preparation method of heat-resistant energetic material PTO | 南京理工大学 | 2024-04-05 | — | — | CN | disclosed |
| EP-4337652-A1 | NLRP3 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2024-03-20 | — | — | EP | disclosed |
| US-11247997-B2 | Compound and preparation and application thereof | INSTITUTE OF CHEMICAL MATERIALS OF CHINA ACADEMY OF ENGINEERING AND PHYSICS (CN) | 2022-02-15 | — | — | US | disclosed |
| EP-3917915-A1 | 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | Bayer Aktiengesellschaft (DE) | 2021-12-08 | — | — | EP | disclosed |
| US-20210155624-A1 | COMPOUND AND PREPARATION AND APPLICATION THEREOF | INSTITUTE OF CHEMICAL MATERIALS OF CHINA ACADEMY OF ENGINEERING AND PHYSICS (CN) | 2021-05-27 | — | — | US | disclosed |
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4387225-A | Heterocyclic alkylene triazinones | WILLIAM H. RORER, INC. (US) | 1983-06-07 | — | — | US | disclosed |
| EP-0078841-A1 | HETEROCYCLIC ALKYLENE TRIAZINONES | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1983-05-18 | — | — | EP | disclosed |
| WO-1982004050-A1 | HETEROCYCLIC ALKYLENE TRIAZINONES | RORER INT OVERSEAS (US) | 1982-11-25 | — | — | WO | disclosed |
| US-4338441-A | CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND | WILLIAM H. RORER, INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |