⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27735153 | 0.93 | — | — | |
| SCHEMBL1275577 | 0.76 | — | — | |
| SCHEMBL27328672 | 0.70 | — | — | |
| SCHEMBL330777 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL331270 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL9524283 | 0.67 | — | — | |
| SCHEMBL3079761 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL30160783 | 0.65 | — | — | |
| SCHEMBL3086575 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL19732814 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4349552-A | TREATMENT OF CANCER | FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) | 1982-09-14 | — | — | US | disclosed |
| EP-0010941-B1 | 5-FLUOROURACIL DERIVATIVES, PREPARATION THEREOF AND THEIR PHARMACEUTICAL COMPOSITIONS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1982-05-12 | — | — | EP | disclosed |
| EP-0010941-A1 | 5-Fluorouracil derivatives, preparation thereof and their pharmaceutical compositions | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-05-14 | — | — | EP | disclosed |