⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL882421 | 1.00 | — | — | |
| SCHEMBL534023 | 1.00 | — | — | |
| SCHEMBL37355 | 1.00 | — | — | |
| SCHEMBL11142521 | 0.97 | — | — | |
| SCHEMBL7717304 | 0.89 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL31468683 | 0.82 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL1332029 | 0.78 | — | — | |
| SCHEMBL5424391 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL2864267 | 0.78 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL952090 | 0.78 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11352311-B1 | Single-step stereospecific synthesis of (S)-2-chloropropionic acid alkyl ester | PATEL FRAMROZE BOMI (US) | 2022-06-07 | — | — | US | disclosed |