⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9842362 | 0.86 | KDM1A (0.34) | — | |
| SCHEMBL27794372 | 0.83 | OPRM1 (0.33) | — | |
| SCHEMBL8462344 | 0.82 | KDM1A (0.31) | — | |
| SCHEMBL27627885 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL10527601 | 0.82 | MMP2 (0.35) | — | |
| SCHEMBL28419457 | 0.81 | MMP2 (0.36) | — | |
| SCHEMBL8780391 | 0.81 | MMP2 (0.36) | — | |
| SCHEMBL27875440 | 0.78 | — | — | |
| SCHEMBL27385170 | 0.78 | HSD11B1 (0.35) | — | |
| SCHEMBL7422830 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1812979-A | Substituted aminocarboxylic acids as inhibitors of protein tyrosine phosphatase-1B | INST PHARM DISCOVERY INC (US) | 2006-08-02 | — | — | CN | disclosed |