⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27658512 | 0.81 | — | — | |
| SCHEMBL565453 | 0.78 | — | — | |
| SCHEMBL19183339 | 0.74 | — | — | |
| SCHEMBL9876093 | 0.74 | — | — | |
| SCHEMBL8434896 | 0.72 | RXFP1 (0.31) | — | |
| SCHEMBL8437629 | 0.71 | TGM2 (0.34) | — | |
| SCHEMBL8438950 | 0.71 | — | — | |
| SCHEMBL10726749 | 0.71 | — | — | |
| SCHEMBL11026748 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL237527 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0732322-B1 | Acetylsalicylic acid derivatives having a vinyl group | UBE INDUSTRIES (JP) | 1999-12-22 | — | — | EP | disclosed |
| US-5693320-A | ANTICOAGULANTS, BIOCOMPATIBILITY, MEDICAL EQUIPMENT | UBE INDUSTRIES, LTD. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0732322-A1 | Acetylsalicylic acid derivatives having a vinyl group | UBE INDUSTRIES, LTD. (JP) | 1996-09-18 | — | — | EP | disclosed |