⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7102533 | 0.82 | — | — | |
| SCHEMBL7098100 | 0.78 | ADRA2A (0.38) | — | |
| Fumaric Acid SCHEMBL7247808 | 0.76 | ADRA2A (0.31) | — | |
| Maleic Acid SCHEMBL7247796 | 0.76 | ADRA2A (0.31) | — | |
| SCHEMBL7103106 | 0.75 | — | — | |
| SCHEMBL7097676 | 0.75 | ADRA2A (0.34) | — | |
| Maleic Acid SCHEMBL7102529 | 0.74 | TRPV1 (0.32) | — | |
| Fumaric Acid SCHEMBL7102536 | 0.74 | TRPV1 (0.32) | — | |
| SCHEMBL7103690 | 0.73 | BRAF (0.33) | — | |
| SCHEMBL7103321 | 0.67 | ADRA2A (0.38) | — |
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-6503935-B1 | Treating urinary incontinence or retrograde ejaculation | ABBOTT LABORATORIES | 2003-01-07 | — | — | US | disclosed |