⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2932602 | 1.00 | — | — | |
| SCHEMBL649682 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL755085 | 0.79 | TAAR1 (0.59) | — | |
| SCHEMBL7545271 | 0.77 | TAAR1 (0.56) | — | |
| SCHEMBL12437153 | 0.75 | HRH3 (0.31) | — | |
| SCHEMBL23461 | 0.75 | — | — | |
| SCHEMBL16561361 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL7437052 | 0.73 | TAAR1 (0.68) | — | |
| SCHEMBL1468357 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL679947 | 0.73 | HRH3 (0.47) | — |
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-20140228590-A1 | SIMPLIFIED RADIOSYNTHESIS OF [18F]FLUOROMETHYL BROMIDE | PIRAMAL IMAGING SA (CH) | 2014-08-14 | — | — | US | disclosed |