⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4416227 | 0.75 | — | — | |
| SCHEMBL872178 | 0.64 | — | — | |
| SCHEMBL193321 | 0.62 | — | — | |
| SCHEMBL3081863 | 0.62 | ADORA2A (0.49) | — | |
| SCHEMBL31759474 | 0.62 | ADORA2A (0.49) | — | |
| SCHEMBL2582284 | 0.61 | LMNA (0.51) | — | |
| Hydrochloric Acid SCHEMBL4032485 | 0.61 | ADORA2A (0.47) | — | |
| Hydrochloric Acid SCHEMBL4030867 | 0.61 | ADORA2A (0.47) | — | |
| SCHEMBL26415517 | 0.61 | ADORA2A (0.47) | — | |
| SCHEMBL1359128 | 0.61 | SMN1; SMN2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3157929-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | Tocopherx, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |
| WO-2015196759-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | TOCOPHERX, INC. (US) | 2015-12-30 | — | — | WO | disclosed |