⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3767258 | 0.79 | — | — | |
| SCHEMBL4751568 | 0.75 | HSP90AB1 (0.39) | — | |
| SCHEMBL4026431 | 0.70 | — | — | |
| SCHEMBL30096436 | 0.68 | CYP3A4 (0.30) | — | |
| SCHEMBL5912859 | 0.68 | CAPN1 (0.34) | — | |
| SCHEMBL4753908 | 0.62 | — | — | |
| SCHEMBL14631160 | 0.61 | — | — | |
| SCHEMBL6181128 | 0.58 | — | — | |
| Benzene SCHEMBL7938846 | 0.58 | NPC1 (0.33) | — | |
| SCHEMBL6767819 | 0.58 | AKR1B1 (0.46) | — |
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-2008144602-A1 | DEUTERATED ZAMIFENACIN DERIVATIVES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | WO | disclosed |