⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20482269 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL63193 | 0.82 | ALDH1A1 (0.59) | — | |
| SCHEMBL28108949 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL28089288 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL28321856 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL28007784 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL4776653 | 0.78 | MAOB (0.54) | — | |
| SCHEMBL16951583 | 0.77 | NQO1 (0.42) | — | |
| SCHEMBL16959113 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL5841243 | 0.76 | — | — |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116891466-A | Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof | 南开大学 | 2023-10-17 | — | — | CN | claimed |
| CN-110642918-B | Diosgenin derivative and preparation method and application thereof | 山东师范大学 | 2021-01-08 | — | — | CN | claimed |
| CN-107501156-B | Three-component series synthesis method of polysubstituted pyrrole | 兰州大学 | 2020-04-14 | — | — | CN | claimed |
| CN-110642918-A | Diosgenin derivative and preparation method and application thereof | 山东师范大学 | 2020-01-03 | — | — | CN | claimed |
| US-10029992-B2 | Diaminotriazine compounds and their use as herbicides | BASF SE (DE) | 2018-07-24 | — | — | US | claimed |
| EP-3134391-A1 | DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES | BASF SE (DE) | 2017-03-01 | — | — | EP | claimed |
| US-20170044114-A1 | Diaminotriazine compounds and their use as herbicides | BASF SE (DE) | 2017-02-16 | — | — | US | claimed |
| CN-106232586-A | Diaminotriazine compounds and their use as herbicides | 巴斯夫欧洲公司 | 2016-12-14 | — | — | CN | claimed |
| WO-2015162166-A1 | DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES | BASF SE (DE) | 2015-10-29 | — | — | WO | claimed |
| US-7138530-B2 | Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-11-21 | — | — | US | claimed |
| WO-2003099805-A1 | NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2003-12-04 | — | — | WO | claimed |
| CN-1259948-A | 6,7-disubstituted-4-aminopyrido [2,3-D] pyrimidine compounds | ABBOTT LAB (US) | 2000-07-12 | — | — | CN | claimed |
| WO-2000023444-A1 | 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | ABBOTT LABORATORIES (US) | 2000-04-27 | — | — | WO | claimed |
| EP-0989986-A1 | 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS | Abbott Laboratories (US) | 2000-04-05 | — | — | EP | claimed |
| US-6030969-A | ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS | ABBOTT LABORATORIES (US) | 2000-02-29 | — | — | US | claimed |
| EP-0979230-A1 | 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | Abbott Laboratories (US) | 2000-02-16 | — | — | EP | claimed |
| EP-0975633-A1 | 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS | Abbott Laboratories (US) | 2000-02-02 | — | — | EP | claimed |
| WO-1998046604-A1 | 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS | ABBOTT LABORATORIES (US) | 1998-10-22 | — | — | WO | claimed |
| WO-1998046605-A1 | 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 1998-10-22 | — | — | WO | claimed |
| WO-1998046603-A1 | 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS | ABBOTT LABORATORIES (US) | 1998-10-22 | — | — | WO | claimed |