⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16312962 | 1.00 | — | — | |
| SCHEMBL25683070 | 0.79 | — | — | |
| SCHEMBL24473427 | 0.79 | — | — | |
| SCHEMBL10199831 | 0.74 | — | — | |
| SCHEMBL1676701 | 0.74 | — | — | |
| SCHEMBL10808175 | 0.74 | — | — | |
| SCHEMBL863130 | 0.74 | — | — | |
| SCHEMBL21351224 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL9063690 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL10195875 | 0.74 | — | — |
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-20120264693-A1 | COMPOUNDS ACTING AS PEPTIDE GAP JUNCTION MODULATORS, AND USES THEREOF | ZEALAND PHARMA A/S (DK) | 2012-10-18 | — | — | US | disclosed |
| CN-1089947-A | New heterogeneous ring compound | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-07-27 | — | — | CN | disclosed |