⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102609 | 0.77 | ALOX15 (0.31) | — | |
| SCHEMBL11094381 | 0.75 | MMP1 (0.31) | — | |
| SCHEMBL6944552 | 0.72 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL11819437 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL2327548 | 0.64 | ALOX15 (0.36) | — | |
| SCHEMBL158887 | 0.64 | — | — | |
| SCHEMBL5354136 | 0.64 | ALOX15 (0.36) | — | |
| SCHEMBL3084004 | 0.64 | ALOX15 (0.36) | — | |
| SCHEMBL2036937 | 0.64 | ALOX15 (0.36) | — | |
| SCHEMBL6944051 | 0.63 | — | — |
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-1051733-A | Acyl-CoA: cholesteryl transferase inhibitor | WARNER LAMBERT CO (US) | 1991-05-29 | — | — | CN | disclosed |