⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2944545 | 0.83 | TBXA2R (0.31) | — | |
| Bicarbonate SCHEMBL6674561 | 0.74 | PPP5C (0.35) | — | |
| SCHEMBL4474190 | 0.73 | PPP5C (0.33) | — | |
| SCHEMBL8674434 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL4579069 | 0.64 | TBXA2R (0.33) | — | |
| SCHEMBL3340672 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL6212412 | 0.63 | PPP5C (0.46) | — | |
| SCHEMBL1557414 | 0.63 | TP53 (0.35) | — | |
| SCHEMBL28312364 | 0.62 | GRM2 (0.44) | — | |
| SCHEMBL110318 | 0.61 | CYP2D6 (0.48) | — |
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-4156046-A | POLYEPOXIDES, EPOXY-TERMINATED SILANES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1979-05-22 | — | — | US | disclosed |