⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13628965 | 0.76 | GRM5 (0.39) | — | |
| SCHEMBL13499152 | 0.76 | SMYD2 (0.33) | — | |
| SCHEMBL3532335 | 0.75 | CYP11B1 (0.32) | — | |
| SCHEMBL13950219 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL14072092 | 0.75 | CYP11B1 (0.32) | — | |
| SCHEMBL20554466 | 0.68 | — | — | |
| SCHEMBL13944270 | 0.67 | — | — | |
| SCHEMBL13955359 | 0.65 | — | — | |
| SCHEMBL14386183 | 0.62 | PDGFRA (0.39) | — | |
| SCHEMBL13513414 | 0.62 | PDGFRA (0.39) | — |
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-7612060-B2 | Triazoles and methods of use | AMGEN INC. (US) | 2009-11-03 | — | — | US | disclosed |