⚠ 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 SCHEMBL8828500 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8828543 | 0.92 | DRD2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL8828683 | 0.90 | DRD2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8828678 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8828631 | 0.88 | HTR1A (0.41) | — | |
| Hydrochloric Acid SCHEMBL8828574 | 0.88 | GPR6 (0.41) | — | |
| SCHEMBL8828487 | 0.88 | DRD2 (0.51) | — | |
| Hydrochloric Acid SCHEMBL8828714 | 0.88 | — | — | |
| SCHEMBL8828713 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8828696 | 0.87 | DRD2 (0.50) | — |
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-5688795-A | URINARY TRACTS OBSTRUCTION | SYNTEX (U.S.A.) INC. (US) | 1997-11-18 | — | — | US | disclosed |