⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19441910 | 0.90 | ESR1 (0.32) | — | |
| SCHEMBL29332959 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL24849264 | 0.81 | — | — | |
| SCHEMBL22503007 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL25003875 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL18812112 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL22725519 | 0.73 | — | — | |
| SCHEMBL26396496 | 0.72 | CYP2D6 (0.32) | — | |
| SCHEMBL18910654 | 0.71 | HRH4 (0.32) | — | |
| SCHEMBL20341255 | 0.71 | RXRA (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10988465-B2 | CXCR4 inhibitors and uses thereof | X4 PHARMACEUTICALS, INC. (US) | 2021-04-27 | — | — | US | disclosed |
| US-20200255414-A1 | CXCR4 INHIBITORS AND USES THEREOF | X4 PHARMACEUTICALS, INC. | 2020-08-13 | — | — | US | disclosed |