⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL182034 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8472312 | 0.94 | — | — | |
| SCHEMBL9711018 | 0.85 | CYP1A2 (0.33) | — | |
| SCHEMBL31538222 | 0.79 | CYP1A2 (0.33) | — | |
| SCHEMBL3389290 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL968431 | 0.77 | — | — | |
| SCHEMBL28239800 | 0.74 | — | — | |
| SCHEMBL28480240 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL15238577 | 0.72 | — | — | |
| SCHEMBL15514440 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5665753-A | TREATMENT OF MATRIX-DEGRADING METALLOPROTEINASE RELATED DISEASE STATES, I.E. ARTHRITIS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-09-09 | — | — | US | disclosed |