⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6814009 | 0.81 | PTGER4 (0.32) | — | |
| SCHEMBL6477535 | 0.79 | KMT2A (0.32) | — | |
| SCHEMBL6478515 | 0.79 | GRM4 (0.33) | — | |
| SCHEMBL6485426 | 0.69 | P2RY14 (0.36) | — | |
| SCHEMBL6477100 | 0.66 | CHRM4 (0.43) | — | |
| SCHEMBL6487492 | 0.65 | KMT2A (0.33) | — | |
| SCHEMBL6476082 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL6818812 | 0.64 | CHRM4 (0.37) | — | |
| SCHEMBL6484250 | 0.64 | FFAR1 (0.33) | — | |
| SCHEMBL6485110 | 0.64 | FFAR1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004014908-A1 | HETEROBICYLCIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |