⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL123714 | 0.74 | PTPN1 (0.33) | — | |
| SCHEMBL19260907 | 0.71 | EGLN2 (0.38) | — | |
| SCHEMBL8004090 | 0.70 | ERAP1 (0.30) | — | |
| SCHEMBL3491364 | 0.57 | PTPN1 (0.36) | — | |
| SCHEMBL7091174 | 0.56 | PTPN1 (0.34) | — | |
| SCHEMBL107027 | 0.52 | EGLN2 (0.36) | — | |
| SCHEMBL2021014 | 0.51 | PTPN1 (0.59) | — | |
| SCHEMBL28158686 | 0.51 | CCR2 (0.60) | — | |
| SCHEMBL14192127 | 0.51 | CCR2 (0.44) | — | |
| SCHEMBL19433868 | 0.50 | CCR2 (0.36) | — |
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-4491593-A | Compositions and methods for fertility control | GALLEGOS ALFREDO J | 1985-01-01 | — | — | US | disclosed |