⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18895983 | 0.81 | CCR1 (0.32) | — | |
| SCHEMBL12121700 | 0.70 | CYP19A1 (0.31) | — | |
| SCHEMBL933157 | 0.51 | CYP3A4 (0.50) | — | |
| SCHEMBL30033480 | 0.50 | ESR1 (0.39) | — | |
| SCHEMBL29014630 | 0.50 | ESR1 (0.39) | — | |
| SCHEMBL196799 | 0.50 | MEN1 (0.48) | — | |
| SCHEMBL547724 | 0.50 | PTPN1 (0.40) | — | |
| SCHEMBL6931883 | 0.49 | MEN1 (0.34) | — | |
| SCHEMBL12463520 | 0.49 | CYP19A1 (0.39) | — | |
| SCHEMBL6931875 | 0.49 | ABL1 (0.44) | — |
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-9663537-B2 | Chemokine receptor antagonists and methods of use | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |