⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31736938 | 0.79 | — | — | |
| SCHEMBL9540998 | 0.79 | — | — | |
| SCHEMBL10304921 | 0.79 | — | — | |
| SCHEMBL14744183 | 0.77 | DDAH1 (0.34) | — | |
| SCHEMBL28076701 | 0.77 | DDAH1 (0.34) | — | |
| SCHEMBL27849100 | 0.77 | — | — | |
| SCHEMBL10499948 | 0.76 | FOLH1 (0.37) | — | |
| SCHEMBL16908584 | 0.76 | CA2 (0.52) | — | |
| SCHEMBL25582929 | 0.76 | CA2 (0.52) | — | |
| SCHEMBL8161232 | 0.74 | HDAC2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904260-B1 | INHIBITION OF MATRIX METALLOPROTEASES BY 2-(OMEGA-AROYLALKYL)-4-BIARYL-OXOBUTYRIC ACIDS | BAYER AG (US) | 2002-09-18 | — | — | EP | disclosed |
| US-5932763-A | Inhibition of matrix metalloproteases by 2-(ω-arolalkyl)-4-biaryl-4-oxobutyric acids | BAYER CORPORATION (US) | 1999-08-03 | — | — | US | disclosed |