⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14135676 | 0.79 | DPP4 (0.30) | — | |
| SCHEMBL9055185 | 0.77 | GRN (0.33) | — | |
| SCHEMBL14607269 | 0.77 | — | — | |
| SCHEMBL5186318 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL23662370 | 0.75 | — | — | |
| SCHEMBL10051729 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL16368773 | 0.73 | — | — | |
| SCHEMBL13618645 | 0.73 | — | — | |
| SCHEMBL14065822 | 0.73 | — | — | |
| SCHEMBL2390525 | 0.72 | GRN (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2394676-B1 | COATINGS PREPARED FROM POLY(ETHYLENE OXIDE) AND PHOTO-INITIATOR-CONTAINING SCAFFOLDS | COLOPLAST AS (DK) | 2018-03-28 | — | — | EP | disclosed |
| CN-102336848-A | Process for producing solid catalyst component for olefin polymerization | SUMITOMO CHEMICAL CO | 2012-02-01 | — | — | CN | disclosed |