⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17036845 | 0.77 | — | — | |
| SCHEMBL17036863 | 0.77 | TDP1 (0.33) | — | |
| SCHEMBL17036841 | 0.73 | — | — | |
| SCHEMBL17036862 | 0.70 | CYP2C19 (0.41) | — | |
| SCHEMBL19334615 | 0.68 | — | — | |
| SCHEMBL17036865 | 0.68 | FFAR1 (0.31) | — | |
| SCHEMBL20076521 | 0.67 | — | — | |
| SCHEMBL21015636 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL4580892 | 0.65 | TDP1 (0.39) | — | |
| SCHEMBL12991082 | 0.64 | TRPA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9950001-B2 | Polynucleotides having bioreversible groups | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-04-24 | — | — | US | disclosed |
| US-20150238516-A1 | POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-08-27 | — | — | US | disclosed |