⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9752222 | 0.62 | PDE10A (0.33) | — | |
| SCHEMBL4071277 | 0.60 | — | — | |
| SCHEMBL6110173 | 0.60 | — | — | |
| SCHEMBL6807961 | 0.59 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10415893 | 0.59 | ELANE (0.35) | — | |
| SCHEMBL444759 | 0.59 | — | — | |
| SCHEMBL329373 | 0.59 | — | — | |
| SCHEMBL28625829 | 0.59 | BACE1 (0.35) | — | |
| SCHEMBL30967086 | 0.58 | KIT (0.40) | — | |
| SCHEMBL28964474 | 0.57 | RAB9A (0.34) | — |
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-2006130426-A2 | MODULATORS OF CCR-5 ACTIVITY | KEMIA, INC. (US) | 2006-12-07 | — | — | WO | disclosed |