⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24467244 | 0.75 | JAK3 (0.35) | — | |
| SCHEMBL25915113 | 0.74 | PIK3CD (0.38) | — | |
| SCHEMBL4224153 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28060597 | 0.72 | MAPT (0.56) | — | |
| SCHEMBL4842013 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL20645628 | 0.70 | SETD7 (0.41) | — | |
| SCHEMBL24205542 | 0.70 | SETD7 (0.41) | — | |
| SCHEMBL20750506 | 0.69 | GAA (0.47) | — | |
| SCHEMBL13593167 | 0.69 | SMO (0.51) | — | |
| SCHEMBL21229849 | 0.69 | CHRM1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-61260068-A | — | — | None | — | — | JP | disclosed |
| JP-S61260068-A | PRODUCTION OF 1-(2-PYRIMIDYL)PIPERAZINE | KOEI CHEM CO LTD | 1986-11-18 | — | — | JP | disclosed |