⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL344175 | 1.00 | — | — | |
| SCHEMBL471892 | 1.00 | ALDH1A1 (0.50) | — | |
| SCHEMBL284806 | 1.00 | — | — | |
| SCHEMBL22598 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2655388 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL6027936 | 0.97 | ALDH1A1 (0.48) | — | |
| Propane SCHEMBL9159399 | 0.97 | ALDH1A1 (0.48) | — | |
| SCHEMBL5605429 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL6891050 | 0.97 | — | — | |
| Isopropyl Alcohol SCHEMBL1972398 | 0.97 | ALDH1A1 (0.48) | — |
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 |