⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7097447 | 1.00 | — | — | |
| SCHEMBL7097211 | 0.74 | PDE7A (0.39) | — | |
| SCHEMBL7097206 | 0.62 | PDE7A (0.39) | — | |
| SCHEMBL38662844 | 0.62 | MEN1 (0.50) | — | |
| SCHEMBL8128523 | 0.52 | KDR (0.38) | — | |
| SCHEMBL26158412 | 0.51 | ADCY10 (0.35) | — | |
| SCHEMBL14850876 | 0.50 | ADORA2A (0.37) | — | |
| SCHEMBL22609430 | 0.50 | ADORA3 (0.33) | — | |
| SCHEMBL25150807 | 0.48 | KDM4E (0.33) | — | |
| SCHEMBL31210486 | 0.48 | PRMT5 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003089441-A1 | TRICYCLIC MERCAPTANS, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF AS MMP INHIBITORS | IBFB GMBH (DE) | 2003-10-30 | — | — | WO | claimed |
| WO-2003089441-A1 | TRICYCLIC MERCAPTANS, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF AS MMP INHIBITORS | IBFB GMBH (DE) | 2003-10-30 | — | — | WO | disclosed |