⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31267749 | 0.80 | — | — | |
| SCHEMBL28176955 | 0.78 | — | — | |
| SCHEMBL28318524 | 0.78 | — | — | |
| SCHEMBL27452231 | 0.75 | — | — | |
| SCHEMBL9242207 | 0.73 | — | — | |
| SCHEMBL4607590 | 0.70 | — | — | |
| SCHEMBL27821888 | 0.69 | DGAT1 (0.42) | — | |
| SCHEMBL7113228 | 0.69 | — | — | |
| SCHEMBL503350 | 0.69 | PKM (0.37) | — | |
| SCHEMBL28058616 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113736232-B | Modified biodegradable material and preparation method thereof | 万华化学（宁波）有限公司 | 2023-07-14 | — | — | CN | claimed |
| CN-116981661-A | Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-113736232-B | Modified biodegradable material and preparation method thereof | 万华化学（宁波）有限公司 | 2023-07-14 | — | — | CN | disclosed |
| WO-2016065584-A1 | PIPERIDINE OXADIAZOLE AND THIADIAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-05-06 | — | — | WO | disclosed |
| EP-1064274-A1 | BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS | AstraZeneca AB (SE) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999047508-A1 | BENZENESULFONAMIDE-DERIVATIVES AND THEIR USE AS MEDICAMENTS | ASTRAZENECA AB (SE) | 1999-09-23 | — | — | WO | disclosed |
| EP-0904400-A2 | ENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF THERAPEUTIC AMIDES | AstraZeneca AB (SE) | 1999-03-31 | — | — | EP | disclosed |
| WO-1997038124-A2 | ENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF THERAPEUTIC AMIDES | ZENECA LIMITED (GB) | 1997-10-16 | — | — | WO | disclosed |