⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17663575 | 0.86 | METAP2 (0.33) | — | |
| SCHEMBL14374880 | 0.85 | LMNA (0.38) | — | |
| SCHEMBL13127084 | 0.83 | CTSS (0.31) | — | |
| SCHEMBL22872358 | 0.83 | CTSS (0.31) | — | |
| SCHEMBL14306752 | 0.81 | MMP3 (0.31) | — | |
| SCHEMBL13676317 | 0.81 | MMP3 (0.31) | — | |
| SCHEMBL14374894 | 0.79 | GRN (0.33) | — | |
| SCHEMBL12670717 | 0.79 | GRN (0.33) | — | |
| SCHEMBL12301654 | 0.79 | FPR2 (0.35) | — | |
| SCHEMBL10061086 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120021982-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION | INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) | 2012-01-26 | — | — | US | disclosed |