⚠ 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 | 0.89 | — | — | |
| SCHEMBL16629476 | 0.84 | — | — | |
| SCHEMBL4359968 | 0.65 | CA1 (0.35) | — | |
| SCHEMBL18016530 | 0.64 | — | — | |
| SCHEMBL11255458 | 0.64 | CA1 (0.34) | — | |
| SCHEMBL1537897 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL19154262 | 0.62 | CA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5710062 | 0.61 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL5710195 | 0.61 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL15671756 | 0.60 | CYP2C9 (0.42) | — |
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 |