⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11050742 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL11050754 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL6103779 | 0.77 | — | — | |
| SCHEMBL9174584 | 0.77 | — | — | |
| SCHEMBL1961401 | 0.77 | — | — | |
| SCHEMBL1961400 | 0.77 | — | — | |
| SCHEMBL18430011 | 0.71 | — | — | |
| SCHEMBL175412 | 0.70 | ALOX15 (0.34) | — | |
| SCHEMBL7523090 | 0.69 | MCL1 (0.30) | — | |
| SCHEMBL10940432 | 0.67 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-61063684-A | — | — | None | — | — | JP | disclosed |
| EP-0796263-A1 | CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-09-24 | — | — | EP | disclosed |
| WO-1996017850-A1 | CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-06-13 | — | — | WO | disclosed |
| US-4897489-A | 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-01-30 | — | — | US | disclosed |
| EP-0250143-A1 | Isoxazolidinone derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-12-23 | — | — | EP | disclosed |
| JP-S6163684-A | NOVEL CEPHEM COMPOUND AND ITS PREPARATION | FUJISAWA PHARMACEUT CO LTD | 1986-04-01 | — | — | JP | disclosed |