⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1995598 | 0.76 | HDAC8 (0.39) | — | |
| SCHEMBL4887163 | 0.74 | — | — | |
| SCHEMBL5173151 | 0.74 | — | — | |
| SCHEMBL4048455 | 0.74 | — | — | |
| SCHEMBL21663765 | 0.74 | — | — | |
| SCHEMBL279496 | 0.74 | — | — | |
| SCHEMBL21721350 | 0.71 | KIF11 (0.35) | — | |
| SCHEMBL27445829 | 0.71 | HTT (0.38) | — | |
| SCHEMBL21434276 | 0.71 | AR (0.31) | — | |
| SCHEMBL27453251 | 0.71 | HDAC8 (0.35) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230248740-A1 | Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer | NATIONAL CANCER CENTER (KR) | 2023-08-10 | — | — | US | disclosed |
| US-20230248740-A1 | Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer | NATIONAL CANCER CENTER (KR) | 2023-08-10 | — | — | US | disclosed |
| WO-2023055920-A1 | MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE | CARAWAY THERAPEUTICS, INC. (US) | 2023-04-06 | — | — | WO | disclosed |
| WO-2022145459-A1 | NRF2-ACTIVATING COMPOUND | 千寿製薬株式会社 | 2022-07-07 | — | — | WO | disclosed |
| EP-3998262-A1 | NRF2-ACTIVATING COMPOUND | Senju Pharmaceutical Co., Ltd. (JP) | 2022-05-18 | — | — | EP | disclosed |
| US-11319347-B2 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | FUJIFILM CORPORATION (JP) | 2022-05-03 | — | — | US | disclosed |
| WO-2021019514-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2021-02-04 | — | — | WO | disclosed |
| WO-2021002473-A1 | NRF2-ACTIVATING COMPOUND | 千寿製薬株式会社 | 2021-01-07 | — | — | WO | disclosed |
| WO-2020040610-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BRAIN CANCER, COMPRISING, AS ACTIVE INGREDIENT, COMPOUND CAPABLE OF PENETRATING BLOOD-BRAIN BARRIER | 재단법인 대구경북첨단의료산업진흥재단 | 2020-02-27 | — | — | WO | disclosed |
| US-20200040039-A1 | PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND | FUJIFILM CORPORATION (JP) | 2020-02-06 | — | — | US | disclosed |
| EP-3604326-A1 | PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND | FUJIFILM Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |
| US-8829185-B2 | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC (US) | 2014-09-09 | — | — | US | disclosed |
| US-8211897-B2 | Inhibitors of cathepsin B | VIROBAY, INC. (US) | 2012-07-03 | — | — | US | disclosed |
| US-20120165314-A1 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | BAYER HEALTHCARE LLC (US) | 2012-06-28 | — | — | US | disclosed |
| US-8133995-B2 | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC (US) | 2012-03-13 | — | — | US | disclosed |
| US-20090281079-A1 | Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis | BAYER HEALTHCARE LLV (US) | 2009-11-12 | — | — | US | disclosed |
| WO-2009100225-A1 | INHIBITORS OF CATHEPSIN B | VIROBAY, INC. (US) | 2009-08-13 | — | — | WO | disclosed |
| US-20090203629-A1 | INHIBITORS OF CATHEPSIN B | VIROBAY, INC. (US) | 2009-08-13 | — | — | US | disclosed |