⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11388671 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL28141287 | 0.76 | — | — | |
| SCHEMBL322313 | 0.76 | KMT2A (0.44) | — | |
| SCHEMBL5506409 | 0.74 | — | — | |
| SCHEMBL27374870 | 0.73 | — | — | |
| SCHEMBL28210051 | 0.73 | — | — | |
| SCHEMBL7753808 | 0.72 | — | — | |
| SCHEMBL4849528 | 0.71 | — | — | |
| SCHEMBL11716568 | 0.70 | — | — | |
| SCHEMBL1766460 | 0.70 | — | — |
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 |