⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5054730 | 0.73 | — | — | |
| SCHEMBL28849494 | 0.72 | — | — | |
| SCHEMBL365196 | 0.72 | — | — | |
| SCHEMBL15510509 | 0.72 | TP53 (0.30) | — | |
| SCHEMBL27497840 | 0.71 | — | — | |
| Fluoride SCHEMBL15754361 | 0.69 | — | — | |
| Water SCHEMBL28034098 | 0.69 | — | — | |
| SCHEMBL5054729 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL5445409 | 0.69 | — | — | |
| SCHEMBL23374313 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023179351-A1 | ASYMMETRIC SYNTHESIS METHOD OF 7-OXOTRIPTOPHENOLIDE AND USE THEREOF | 欣凯医药化工中间体（上海）有限公司 | 2023-09-28 | — | — | WO | disclosed |
| EP-3404008-B1 | METHOD FOR MANUFACTURING 1,4-BIS (4-PHENOXYBENZOYL)BENZENE AT AN ELEVATED TEMPERATURE | ARKEMA FRANCE (FR) | 2020-08-12 | — | — | EP | disclosed |
| EP-0783496-A1 | THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996005186-A1 | THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-02-22 | — | — | WO | disclosed |