⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11540278 | 0.69 | — | — | |
| SCHEMBL13370354 | 0.67 | ABAT (0.39) | — | |
| SCHEMBL9545774 | 0.67 | ABAT (0.44) | — | |
| SCHEMBL2537740 | 0.65 | — | — | |
| SCHEMBL8693124 | 0.62 | — | — | |
| SCHEMBL22789313 | 0.62 | ABAT (0.30) | — | |
| SCHEMBL6966342 | 0.62 | — | — | |
| SCHEMBL6966349 | 0.62 | — | — | |
| SCHEMBL2468568 | 0.59 | — | — | |
| SCHEMBL21616452 | 0.59 | ABAT (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103130782-B | Hydroxylamine hydrochloride is prepared the method for Lafutidine | BEIJING GUOLIAN CHENGHUI MEDICINE TECH CO., LTD. (CN) | 2016-05-11 | — | — | CN | disclosed |