⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13979388 | 0.86 | SLC6A2 (0.41) | — | |
| SCHEMBL7800963 | 0.85 | SLC6A3 (0.56) | — | |
| SCHEMBL7079936 | 0.85 | SLC6A3 (0.56) | — | |
| SCHEMBL7079939 | 0.85 | SLC6A3 (0.56) | — | |
| SCHEMBL7079941 | 0.85 | SLC6A3 (0.56) | — | |
| SCHEMBL14224128 | 0.84 | SLC6A2 (0.54) | — | |
| SCHEMBL25268431 | 0.78 | RAB9A (0.42) | — | |
| SCHEMBL6042948 | 0.78 | RAB9A (0.42) | — | |
| SCHEMBL7094658 | 0.78 | SLC6A2 (0.58) | — | |
| SCHEMBL6707683 | 0.76 | CCNT1 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029541-B1 | PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS | HOFFMANN LA ROCHE (CH) | 2009-12-30 | — | — | EP | disclosed |