⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19294655 | 1.00 | — | — | |
| SCHEMBL19294661 | 1.00 | — | — | |
| SCHEMBL14457463 | 0.79 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL17634052 | 0.72 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL17634041 | 0.72 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL17638810 | 0.72 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL20408741 | 0.72 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL19300209 | 0.71 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL19300027 | 0.71 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL5215551 | 0.70 | SMN1; SMN2 (0.37) | — |
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-20170247338-A1 | PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS | F. HOFFMAN-LA ROCHE AG (CH) | 2017-08-31 | — | — | US | disclosed |