⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7154647 | 0.84 | — | — | |
| SCHEMBL9650950 | 0.81 | — | — | |
| SCHEMBL433525 | 0.79 | — | — | |
| SCHEMBL3632695 | 0.78 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL11378119 | 0.78 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL11694233 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL3632691 | 0.77 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL28066283 | 0.74 | — | — | |
| SCHEMBL7749844 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL21518538 | 0.74 | FAAH (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995030671-A1 | SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1995-11-16 | — | — | WO | disclosed |