⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4093229 | 0.98 | CYP1A2 (0.40) | — | |
| SCHEMBL27880510 | 0.87 | — | — | |
| SCHEMBL13740770 | 0.87 | — | — | |
| SCHEMBL1383962 | 0.87 | — | — | |
| SCHEMBL13740568 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4061881 | 0.85 | CYP1A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL499369 | 0.85 | CYP1A2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL4087947 | 0.84 | CYP1A2 (0.39) | — | |
| SCHEMBL4283752 | 0.81 | CYP1A2 (0.62) | — | |
| SCHEMBL4092607 | 0.79 | — | — |
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-20090203763-A1 | SUBSTITUTED BENZHYDRYLETHERS | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-08-13 | — | — | US | disclosed |