⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12175346 | 0.78 | — | — | |
| SCHEMBL14200107 | 0.74 | CYP3A4 (0.43) | — | |
| SCHEMBL10100732 | 0.73 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL3873104 | 0.70 | AR (0.33) | — | |
| SCHEMBL18118981 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL25583481 | 0.68 | ATM (0.34) | — | |
| SCHEMBL28307835 | 0.67 | CYP3A4 (0.41) | — | |
| SCHEMBL20038338 | 0.67 | PNMT (0.31) | — | |
| SCHEMBL22793168 | 0.67 | NNMT (0.34) | — | |
| SCHEMBL8260694 | 0.66 | DRD2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120041194-A1 | NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES | TRIAD MULTITECH PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| US-20110269953-A1 | Nitrogen and Sulfur-Containing Heterocycle Derivatives | ARMILLI MURTY N | 2011-11-03 | — | — | US | disclosed |