⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16629720 | 0.94 | — | — | |
| SCHEMBL16629519 | 0.84 | — | — | |
| SCHEMBL16629419 | 0.80 | TP53 (0.33) | — | |
| SCHEMBL11255458 | 0.74 | CA1 (0.34) | — | |
| SCHEMBL18016530 | 0.70 | — | — | |
| SCHEMBL4359968 | 0.66 | CA1 (0.35) | — | |
| SCHEMBL1919646 | 0.64 | CA1 (0.33) | — | |
| Sulfuric Acid SCHEMBL29055240 | 0.61 | USP2 (0.41) | — | |
| SCHEMBL26115605 | 0.61 | CA2 (0.39) | — | |
| SCHEMBL6041717 | 0.60 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015051169-A2 | POLYNUCLEOTIDE MOLECULES AND USES THEREOF | MODERNA THERAPEUTICS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |