⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21372005 | 0.77 | — | — | |
| SCHEMBL2369591 | 0.76 | — | — | |
| SCHEMBL19124101 | 0.68 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL2370204 | 0.68 | — | — | |
| Formic Acid SCHEMBL28100818 | 0.66 | SLC1A3 (0.47) | — | |
| SCHEMBL19124611 | 0.64 | HTR2A (0.37) | — | |
| Ethoxycarbonyl Group SCHEMBL28100886 | 0.64 | SLC1A3 (0.38) | — | |
| SCHEMBL21371977 | 0.63 | ACHE (0.31) | — | |
| SCHEMBL20653264 | 0.62 | HRH3 (0.39) | — | |
| SCHEMBL20653188 | 0.61 | CHRM4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3180344-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE | PFIZER (US) | 2019-09-18 | — | — | EP | disclosed |