⚠ 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 | |
|---|---|---|---|---|
| N-Propyl Bromide SCHEMBL7075476 | 0.75 | — | — | |
| SCHEMBL2399 | 0.74 | — | — | |
| SCHEMBL524412 | 0.71 | — | — | |
| SCHEMBL4527817 | 0.68 | — | — | |
| Ether SCHEMBL4774210 | 0.62 | — | — | |
| Tetrahydrofuran SCHEMBL2202326 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL1525977 | 0.59 | — | — | |
| SCHEMBL115656 | 0.57 | — | — | |
| SCHEMBL8417235 | 0.56 | CYP1A2 (0.39) | — | |
| SCHEMBL8417237 | 0.56 | CYP1A2 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5140040-A | Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) | ABBOTT LABORATORIES (US) | 1992-08-18 | — | — | US | disclosed |
| US-5086074-A | Selective adrenergic receptor antagonists | ABBOTT LABORATORIES (US) | 1992-02-04 | — | — | US | disclosed |