⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7274950 | 1.00 | — | — | |
| SCHEMBL14824698 | 1.00 | — | — | |
| SCHEMBL7274955 | 1.00 | — | — | |
| SCHEMBL1028749 | 0.83 | — | — | |
| SCHEMBL2458384 | 0.83 | — | — | |
| SCHEMBL11855190 | 0.83 | — | — | |
| SCHEMBL2458386 | 0.83 | — | — | |
| SCHEMBL13251935 | 0.83 | — | — | |
| SCHEMBL18536004 | 0.75 | — | — | |
| SCHEMBL5189185 | 0.75 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107919-B1 | MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT | UNIV FLORIDA (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2013089212-A1 | SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2013-06-20 | — | — | WO | disclosed |
| WO-2011058766-A1 | ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2011-05-19 | — | — | WO | disclosed |
| US-7344850-B2 | Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen | PRINCETON UNIVERSITY (US) | 2008-03-18 | — | — | US | disclosed |
| US-5747522-A | ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS | HOFFMAN-LA ROCHE INC. (US) | 1998-05-05 | — | — | US | disclosed |
| US-5670515-A | TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1997-09-23 | — | — | US | disclosed |
| US-5658928-A | ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS | HOFFMANN-LA ROCHE INC. (US) | 1997-08-19 | — | — | US | disclosed |
| US-5545658-A | FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION | HOFFMAN-LA ROCHE INC. (US) | 1996-08-13 | — | — | US | disclosed |
| EP-0505868-B1 | N-Acyl-alpha-aminoacids derivatives | HOFFMANN LA ROCHE (CH) | 1995-09-13 | — | — | EP | disclosed |
| US-5378712-A | Antithrombosis | Hoffmann-La Roche Inc (US) | 1995-01-03 | — | — | US | disclosed |
| EP-0505868-A2 | N-Acyl-alpha-aminoacids derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-09-30 | — | — | EP | disclosed |
| EP-0232785-A1 | Hydroxylated 1,2-diaminocyclohexane platinum complexes | AMERICAN CYANAMID COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |
| US-4670458-A | ANTICARCINO GENIC AND ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1987-06-02 | — | — | US | disclosed |