⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8452318 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL5073527 | 0.66 | DGKA (0.33) | — | |
| SCHEMBL7120755 | 0.65 | HTT (0.33) | — | |
| SCHEMBL8377424 | 0.63 | — | — | |
| SCHEMBL1898023 | 0.61 | TSHR (0.34) | — | |
| Phosphine SCHEMBL10495866 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL18954355 | 0.58 | — | — | |
| SCHEMBL2098933 | 0.58 | TSHR (0.30) | — | |
| SCHEMBL9307060 | 0.58 | TSHR (0.30) | — | |
| SCHEMBL1328556 | 0.55 | TDP1 (0.31) | — |
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-3386484-A1 | COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS | ModernaTX, Inc. (US) | 2018-10-17 | — | — | EP | disclosed |
| WO-2017099823-A1 | COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS | MODERNATX, INC. (US) | 2017-06-15 | — | — | WO | disclosed |