⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4106666 | 0.82 | AR (0.36) | — | |
| SCHEMBL1951437 | 0.76 | CCR1 (0.43) | — | |
| SCHEMBL27688047 | 0.74 | CCR1 (0.42) | — | |
| SCHEMBL27509781 | 0.72 | NCF1 (0.48) | — | |
| SCHEMBL3956713 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL2885227 | 0.71 | LOXL2 (0.34) | — | |
| SCHEMBL22116603 | 0.71 | SLC40A1 (0.37) | — | |
| SCHEMBL8785156 | 0.71 | SYK (0.41) | — | |
| SCHEMBL803131 | 0.69 | NCF1 (0.50) | — | |
| SCHEMBL7810879 | 0.69 | LMNA (0.42) | — |
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-8227469-B2 | Vanilloid receptor ligands and their use in treatments | AMGEN INC. (US) | 2012-07-24 | — | — | US | disclosed |
| US-20090197879-A1 | VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS | BALAN CHENERA | 2009-08-06 | — | — | US | disclosed |