⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13330278 | 0.93 | — | — | |
| SCHEMBL10170586 | 0.88 | — | — | |
| SCHEMBL10170579 | 0.82 | — | — | |
| SCHEMBL509657 | 0.81 | — | — | |
| SCHEMBL13994238 | 0.80 | — | — | |
| SCHEMBL3280848 | 0.80 | ABCC2 (0.55) | — | |
| SCHEMBL10214991 | 0.80 | — | — | |
| SCHEMBL10170584 | 0.80 | — | — | |
| SCHEMBL10170587 | 0.79 | ABCC2 (0.61) | — | |
| SCHEMBL3288609 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010067123-A1 | 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2010-06-17 | — | — | WO | disclosed |