⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2625737 | 0.83 | — | — | |
| SCHEMBL12913757 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL909341 | 0.72 | — | — | |
| SCHEMBL17723416 | 0.70 | APOBEC3A (0.35) | — | |
| SCHEMBL25316334 | 0.69 | MAPT (0.41) | — | |
| SCHEMBL3973298 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL13612949 | 0.68 | KDM4E (0.39) | — | |
| SCHEMBL3712812 | 0.64 | EDNRA (0.35) | — | |
| SCHEMBL12157436 | 0.64 | HPGD (0.41) | — | |
| SCHEMBL18538068 | 0.64 | POLB (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 |
|---|---|---|---|---|---|---|---|
| WO-2010145883-A1 | NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2010-12-23 | — | — | WO | disclosed |