⚠ 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 SCHEMBL4098111 | 0.98 | CYP1A2 (0.32) | — | |
| SCHEMBL13740615 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4100047 | 0.88 | CYP1A2 (0.40) | — | |
| SCHEMBL13740568 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4087947 | 0.82 | CYP1A2 (0.39) | — | |
| SCHEMBL13740706 | 0.82 | — | — | |
| SCHEMBL4087865 | 0.80 | — | — | |
| SCHEMBL13740668 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4093229 | 0.76 | CYP1A2 (0.40) | — | |
| SCHEMBL4092607 | 0.73 | — | — |
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 |