⚠ 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 SCHEMBL8828701 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8828746 | 0.90 | NTSR1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8828707 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL8828629 | 0.89 | HTR1A (0.40) | — | |
| SCHEMBL8828461 | 0.87 | HTR1A (0.47) | — | |
| SCHEMBL8828489 | 0.87 | TNIK (0.41) | — | |
| Hydrochloric Acid SCHEMBL8828497 | 0.86 | HTR1A (0.46) | — | |
| Hydrochloric Acid SCHEMBL8828680 | 0.86 | TNIK (0.40) | — | |
| SCHEMBL8828554 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8828708 | 0.85 | — | — |
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 |