⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24340204 | 0.91 | EPHX2 (0.48) | — | |
| SCHEMBL14595306 | 0.91 | EPHX2 (0.48) | — | |
| SCHEMBL4103966 | 0.90 | SIGMAR1 (0.43) | — | |
| SCHEMBL26044029 | 0.90 | — | — | |
| SCHEMBL20445357 | 0.89 | SMYD3 (0.39) | — | |
| SCHEMBL23153441 | 0.89 | SMYD3 (0.39) | — | |
| SCHEMBL4100399 | 0.87 | SIGMAR1 (0.46) | — | |
| Iodide SCHEMBL27688322 | 0.85 | SIGMAR1 (0.45) | — | |
| SCHEMBL24339655 | 0.85 | EPHX2 (0.41) | — | |
| SCHEMBL23734414 | 0.85 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021160132-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2021-08-19 | — | — | WO | disclosed |
| EP-2311830-A1 | Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | AstraZeneca AB (SE) | 2011-04-20 | — | — | EP | disclosed |
| US-7317101-B2 | Antibacterial cephalosporins | SANDOZ GMBH (AT) | 2008-01-08 | — | — | US | disclosed |
| US-7317101-B2 | Antibacterial cephalosporins | SANDOZ GMBH (AT) | 2008-01-08 | — | — | US | disclosed |
| WO-2006014185-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2006-02-09 | — | — | WO | disclosed |
| US-6172091-B1 | METABOLIC CALCIUM IMBALANCE AND OSTEOPOROSIS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-01-09 | — | — | US | disclosed |
| WO-2000021910-A2 | 1,2-DISUBSTITUTED CYCLOPROPANES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-04-20 | — | — | WO | disclosed |