⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8401305 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL27277912 | 0.69 | — | — | |
| SCHEMBL26629794 | 0.66 | PAX8 (0.32) | — | |
| SCHEMBL8399219 | 0.65 | — | — | |
| SCHEMBL16844081 | 0.61 | — | — | |
| SCHEMBL24926898 | 0.60 | OPRM1 (0.33) | — | |
| SCHEMBL20327661 | 0.60 | PRMT3 (0.42) | — | |
| SCHEMBL29055683 | 0.59 | CYP2D6 (0.30) | — | |
| SCHEMBL20803902 | 0.59 | KDM4E (0.49) | — | |
| SCHEMBL736531 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2678326-B1 | MONOMERS AND POLYMERS FOR FUNCTIONAL POLYCARBONATES AND POLY (ESTER-CARBONATES) AND PEG-CO-POLYCARBONATE HYDROGELS | UNIV MASSACHUSETTS MEDICAL SCHOOL (US) | 2017-08-02 | — | — | EP | disclosed |