⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22597737 | 0.88 | SLC6A2 (0.34) | — | |
| SCHEMBL27293284 | 0.75 | — | — | |
| SCHEMBL15535206 | 0.74 | AGL (0.30) | — | |
| SCHEMBL4684988 | 0.74 | CA1 (0.35) | — | |
| SCHEMBL10757947 | 0.71 | — | — | |
| SCHEMBL10757949 | 0.71 | — | — | |
| SCHEMBL8603743 | 0.71 | — | — | |
| SCHEMBL15534260 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL15533720 | 0.67 | AGL (0.30) | — | |
| SCHEMBL18531689 | 0.67 | HTR2C (0.34) | — |
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-1848694-B1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | HOFFMANN LA ROCHE (CH) | 2009-11-25 | — | — | EP | disclosed |