⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19954582 | 0.79 | GAA (0.38) | — | |
| SCHEMBL19954650 | 0.79 | PTGDR2 (0.38) | — | |
| SCHEMBL19105611 | 0.77 | TGFBR1 (0.35) | — | |
| SCHEMBL19954525 | 0.76 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL21023784 | 0.76 | NR3C2 (0.36) | — | |
| SCHEMBL19954607 | 0.76 | GAA (0.36) | — | |
| SCHEMBL19954566 | 0.75 | NR3C1 (0.36) | — | |
| SCHEMBL19954553 | 0.75 | NR3C2 (0.40) | — | |
| SCHEMBL19954663 | 0.75 | NR3C2 (0.38) | — | |
| SCHEMBL19954665 | 0.74 | LMNA (0.35) | — |
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-3080087-B1 | N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORP (US) | 2019-05-22 | — | — | EP | disclosed |