⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19604505 | 0.74 | PARP1 (0.41) | — | |
| SCHEMBL2985573 | 0.60 | PARP1 (0.54) | — | |
| SCHEMBL21999476 | 0.60 | PARP1 (0.54) | — | |
| SCHEMBL13117332 | 0.60 | NAAA (0.32) | — | |
| SCHEMBL2983974 | 0.60 | ALPL (0.46) | — | |
| SCHEMBL21333792 | 0.58 | FABP6 (0.50) | — | |
| SCHEMBL20880758 | 0.58 | PARP1 (0.54) | — | |
| SCHEMBL8241419 | 0.57 | PTPN1 (0.37) | — | |
| SCHEMBL12449154 | 0.56 | TSHR (0.41) | — | |
| SCHEMBL2987220 | 0.55 | HTT (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 |
|---|---|---|---|---|---|---|---|
| EP-3227263-B1 | CXCR7 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-04-10 | — | — | EP | disclosed |