⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42682 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL4612126 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL7047737 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28206425 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9543054 | 0.91 | — | — | |
| Propane SCHEMBL18640695 | 0.87 | CYP2D6 (0.83) | — | |
| SCHEMBL28598260 | 0.84 | CYP2D6 (0.77) | — | |
| SCHEMBL3645133 | 0.84 | CYP2D6 (0.77) | — | |
| Cyclohexane SCHEMBL10693974 | 0.81 | CYP2D6 (0.71) | — | |
| SCHEMBL11982030 | 0.78 | CYP2D6 (0.69) | — |
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-20090209046-A1 | Neutral Pharmaceuticals | MOULTON BRIAN DOUGLAS | 2009-08-20 | — | — | US | disclosed |
| WO-2007139731-A1 | NEUTRAL PHARMACEUTICALS | BROWN UNIVERSITY (US) | 2007-12-06 | — | — | WO | disclosed |