⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17243598 | 0.96 | — | — | |
| SCHEMBL9611963 | 0.90 | — | — | |
| SCHEMBL17243897 | 0.82 | — | — | |
| SCHEMBL9611966 | 0.82 | CYP3A4 (0.30) | — | |
| SCHEMBL13619236 | 0.75 | — | — | |
| SCHEMBL14748956 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL8736107 | 0.74 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL24352603 | 0.72 | — | — | |
| SCHEMBL8736190 | 0.72 | CA1 (0.33) | — | |
| SCHEMBL9056245 | 0.71 | ALDH1A1 (0.36) | — |
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-20120136087-A1 | PHOSPHORYLCHOLINE-BASED AMPHIPHILIC SILICONES FOR MEDICAL APPLICATIONS | DSM IP ASSETS B.V. (NL) | 2012-05-31 | — | — | US | disclosed |