⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21916747 | 0.85 | TDP1 (0.38) | — | |
| SCHEMBL5972965 | 0.80 | — | — | |
| SCHEMBL16274396 | 0.78 | — | — | |
| SCHEMBL29134995 | 0.77 | EPHX1 (0.48) | — | |
| SCHEMBL27832109 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL8117778 | 0.76 | — | — | |
| SCHEMBL322850 | 0.76 | — | — | |
| SCHEMBL9580786 | 0.75 | EPHX1 (0.54) | — | |
| SCHEMBL13261393 | 0.74 | — | — | |
| SCHEMBL13945456 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113889622-B | Binder, negative electrode and lithium ion battery | 比亚迪股份有限公司 | 2023-07-11 | — | — | CN | disclosed |
| EP-3359154-B1 | WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2021-05-26 | — | — | EP | disclosed |
| WO-2017062688-A1 | WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2017-04-13 | — | — | WO | disclosed |
| EP-1194768-A4 | POLYPEPTIDE FINGERPRINTING METHODS, METABOLIC PROFILING, AND BIOINFORMATICS DATABASE | TARGET DISCOVERY INC (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-1194768-A1 | POLYPEPTIDE FINGERPRINTING METHODS, METABOLIC PROFILING, AND BIOINFORMATICS DATABASE | Target Discovery, Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000063683-A1 | POLYPEPTIDE FINGERPRINTING METHODS, METABOLIC PROFILING, AND BIOINFORMATICS DATABASE | TARGET DISCOVERY, INC. (US) | 2000-10-26 | — | — | WO | disclosed |