⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27553773 | 0.88 | ALDH1A1 (0.54) | — | |
| SCHEMBL37752 | 0.88 | — | — | |
| SCHEMBL11619894 | 0.84 | — | — | |
| Water SCHEMBL17289280 | 0.84 | — | — | |
| Bicarbonate SCHEMBL7192999 | 0.84 | — | — | |
| SCHEMBL18154634 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL451202 | 0.84 | — | — | |
| SCHEMBL6352035 | 0.84 | — | — | |
| Rubidium SCHEMBL7045613 | 0.84 | — | — | |
| SCHEMBL6528410 | 0.84 | — | — |
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-104974153-B | The synthetic method of 7 [1 (alkoxy carbonyl group) alkyl] 5 oxo, 1,2,3,5 indolizine, 8 carboxylic acid ester compound | 复旦大学 | 2017-03-29 | — | — | CN | disclosed |