⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4500203 | 1.00 | — | — | |
| SCHEMBL18321041 | 0.98 | — | — | |
| SCHEMBL18321043 | 0.98 | — | — | |
| SCHEMBL211354 | 0.77 | TRPA1 (0.30) | — | |
| SCHEMBL6843536 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL2494939 | 0.72 | CDC25B (0.41) | — | |
| SCHEMBL8655845 | 0.70 | — | — | |
| SCHEMBL8655839 | 0.70 | — | — | |
| SCHEMBL184014 | 0.69 | — | — | |
| SCHEMBL160697 | 0.68 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144369-B1 | ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS | WYETH CORP (US) | 2004-07-21 | — | — | EP | claimed |
| US-6762178-B2 | FOR USE IN TREATMENT OF DISEASE CONDITIONS MEDIATED BY TNF-ALPHA, SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE, DEGENERATIVE CARTILAGE LOSS | WYETH HOLDINGS CORPORATION | 2004-07-13 | — | — | US | claimed |
| CN-1376144-A | Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors | AMERICAN CYANAMID CO (US) | 2002-10-23 | — | — | CN | claimed |
| US-20010056088-A1 | Acetylenic aryl sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors | AMERICAN CYANAMID COMPANY (US) | 2001-12-27 | — | — | US | claimed |
| EP-1144369-A2 | ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS | American Cyanamid Company (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000044710-A2 | ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 2000-08-03 | — | — | WO | claimed |
| US-4595531-A | Thermal treatment of benzodiazocine in an inert solvent in the presence of a nucleophilic agent or with a halogenating Lewis acid | KALI-CHEMIE AG (DE) | 1986-06-17 | — | — | US | claimed |
| US-4243585-A | Bendodiazocine derivatives and process of making the same | KALI-CHEMIE AKTIENGESELLSCHAFT (DE) | 1981-01-06 | — | — | US | claimed |
| CN-117820333-A | KRAS G12C inhibitors | 伊莱利利公司 | 2024-04-05 | — | — | CN | disclosed |
| US-11535627-B2 | Pyrimidine derivative compound, pharmaceutically acceptable salt thereof, preparation process thereof, and pharmaceutical composition using the same | SPARK BIOPHARMA, INC. (KR) | 2022-12-27 | — | — | US | disclosed |
| CN-114728000-A | Novel pharmaceutical combination for the treatment of cancer | 荷兰癌症研究所-安东尼·范·雷文虎克医院基金会 | 2022-07-08 | — | — | CN | disclosed |
| CN-114514032-A | Angiotensin type 2 (AT2) receptor agonists for the treatment of cancer | 兰提欧派普有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-108430515-B | Antibody conjugates comprising TOLL-like receptor agonists | 诺华股份有限公司 | 2021-11-12 | — | — | CN | disclosed |
| EP-3524608-B1 | NOVEL PYRIMIDINE DERIVATIVE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION USING SAME | SPARK BIOPHARMA INC (KR) | 2020-12-30 | — | — | EP | disclosed |
| US-4017312-A | Method of manufacturing an article carrying a relief image receptor material comprising exposure and heating steps | MITSUBISHI PLASTICS INDUSTRIES, LIMITED (JA) | 1977-04-12 | — | — | US | disclosed |
| US-4001233-A | CNS STIMULANTS, MUSCLE RELAXANTS | E. R. SQUIBB & SONS, INC. (US) | 1977-01-04 | — | — | US | disclosed |
| US-3998809-A | ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS, TRANQUILIZERS | KALI-CHEMIE AKTIENGESELLSCHAFT (DT) | 1976-12-21 | — | — | US | disclosed |
| US-3994920-A | APPETITE SUPPRESSANT, ANTIDEPRESSANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-11-30 | — | — | US | disclosed |
| US-3978058-A | SEDATIVE, ANTIINFLAMMATORY, ANTICONVULSANT, DIURETIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-08-31 | — | — | US | disclosed |
| US-3957787-A | CENTRAL NERVOUS SYSTEM STIMULANTS, MUSCLE RELAXANTS | E. R. SQUIBB & SONS, INC. (US) | 1976-05-18 | — | — | US | disclosed |