⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18646649 | 0.78 | — | — | |
| SCHEMBL25657467 | 0.78 | — | — | |
| SCHEMBL13445974 | 0.78 | — | — | |
| SCHEMBL14950814 | 0.78 | — | — | |
| SCHEMBL28269230 | 0.78 | — | — | |
| SCHEMBL13445989 | 0.77 | MMP2 (0.31) | — | |
| SCHEMBL13866721 | 0.77 | — | — | |
| SCHEMBL24520334 | 0.75 | — | — | |
| SCHEMBL15144937 | 0.75 | — | — | |
| SCHEMBL9861585 | 0.73 | GRIK1 (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-20170298097-A1 | Peptide Derivatives and Uses Thereof | NOSOPHARM (FR) | 2017-10-19 | — | — | US | disclosed |
| US-20150328207-A1 | BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 | AUSPEX PHARMACEUTICALS, INC. | 2015-11-19 | — | — | US | disclosed |