⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26556407 | 0.80 | BBOX1 (0.37) | — | |
| SCHEMBL9971733 | 0.75 | TPI1 (0.34) | — | |
| SCHEMBL100398 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL10029194 | 0.72 | BTN3A1 (0.36) | — | |
| SCHEMBL19293677 | 0.71 | BBOX1 (0.31) | — | |
| SCHEMBL13758007 | 0.70 | BBOX1 (0.33) | — | |
| SCHEMBL26556402 | 0.70 | BBOX1 (0.33) | — | |
| SCHEMBL26556572 | 0.69 | FABP3 (0.42) | — | |
| SCHEMBL16558576 | 0.69 | RIPK1 (0.36) | — | |
| SCHEMBL100397 | 0.68 | MVD (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222443-B2 | Phosphorylcholine group-containing compound, method of manufacturing a phosphorylcholine group-containing compound, surface-modifying agent, and a method of modifying a surface using a surface-modifying agent | SHISEIDO COMPANY, LTD. (JP) | 2012-07-17 | — | — | US | disclosed |
| US-20120034709-A1 | SURFACE MODIFIED SUBSTRATE, BIOTIP AND A METHOD FOR PRODUCING THEREOF | SHISEIDO COMPANY, LTD. (JP) | 2012-02-09 | — | — | US | disclosed |
| US-20100113817-A1 | PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, METHOD OF MANUFACTURING A PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, SURFACE-MODIFYING AGENT, AND A METHOD OF MODIFYING A SURFACE USING A SURFACE-MODIFYING AGENT | SHISEIDO COMPANY, LTD. (JP) | 2010-05-06 | — | — | US | disclosed |