⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18231224 | 0.78 | CYP2D6 (0.32) | — | |
| SCHEMBL21757438 | 0.78 | — | — | |
| SCHEMBL21757396 | 0.74 | — | — | |
| SCHEMBL102863 | 0.74 | NCF1 (0.39) | — | |
| SCHEMBL14359726 | 0.73 | SCN9A (0.34) | — | |
| SCHEMBL17677236 | 0.72 | JAK2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL306682 | 0.72 | NCF1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL16033739 | 0.70 | NCF1 (0.36) | — | |
| SCHEMBL19555539 | 0.70 | CHRM2 (0.37) | — | |
| SCHEMBL16866836 | 0.70 | SCN9A (0.33) | — |
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-2008077103-A1 | PREPERATION AND UTILITY OF CCR5 INHIBITORS | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-06-26 | — | — | WO | disclosed |