⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14032268 | 0.86 | NCF1 (0.38) | — | |
| SCHEMBL26314846 | 0.83 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL12872464 | 0.79 | NCF1 (0.43) | — | |
| SCHEMBL10150997 | 0.77 | — | — | |
| SCHEMBL12305130 | 0.77 | — | — | |
| SCHEMBL22536243 | 0.75 | KCNH2 (0.31) | — | |
| SCHEMBL19477247 | 0.75 | NCF1 (0.35) | — | |
| SCHEMBL20028833 | 0.75 | NCF1 (0.35) | — | |
| SCHEMBL20028304 | 0.75 | NCF1 (0.35) | — | |
| SCHEMBL25739573 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021195599-A1 | MTORC1 MODULATORS AND USES THEREOF | AEOVIAN PHARMACEUTICALS, INC. (US) | 2021-09-30 | — | — | WO | disclosed |
| WO-2006131884-A2 | THIAZOLE SUBSTITUTED DIAZABICYCLONONANE OR-NONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-14 | — | — | WO | disclosed |