⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3364973 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL17061041 | 0.80 | — | — | |
| SCHEMBL1230977 | 0.76 | — | — | |
| SCHEMBL5745403 | 0.75 | GPR84 (0.41) | — | |
| SCHEMBL27797127 | 0.75 | GPR84 (0.41) | — | |
| SCHEMBL10667701 | 0.75 | CA2 (0.35) | — | |
| SCHEMBL27269789 | 0.74 | — | — | |
| SCHEMBL9550694 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27603845 | 0.74 | — | — | |
| SCHEMBL443578 | 0.74 | — | — |
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-1991015507-A1 | PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY | BEECHAM GROUP PLC (GB) | 1991-10-17 | — | — | WO | disclosed |