⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5154433 | 0.76 | MAPT (0.31) | — | |
| SCHEMBL11248683 | 0.75 | PARP10 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11004810 | 0.65 | GAA (0.32) | — | |
| Hydrochloric Acid SCHEMBL7609599 | 0.62 | DYRK3 (0.34) | — | |
| SCHEMBL5151390 | 0.61 | — | — | |
| SCHEMBL8762100 | 0.61 | MAPT (0.33) | — | |
| SCHEMBL11591230 | 0.60 | MEN1 (0.35) | — | |
| SCHEMBL6787325 | 0.58 | CHEK1 (0.36) | — | |
| SCHEMBL11068818 | 0.58 | KIF11 (0.30) | — | |
| SCHEMBL11362454 | 0.57 | — | — |
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-6268389-B1 | Treatment of urinary incontinence by administration of α1L-adrenoceptor agonists | BOEHRINGER INGELHEIM KG (DE) | 2001-07-31 | — | — | US | disclosed |