⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5165575 | 0.75 | — | — | |
| SCHEMBL2700794 | 0.65 | ERN1 (0.41) | — | |
| SCHEMBL23257196 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL31039444 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL2304712 | 0.63 | CES2 (0.40) | — | |
| SCHEMBL3462994 | 0.60 | CYP3A4 (0.45) | — | |
| SCHEMBL23244733 | 0.59 | ERN1 (0.39) | — | |
| SCHEMBL8573158 | 0.59 | — | — | |
| SCHEMBL500009 | 0.57 | APLNR (0.32) | — | |
| SCHEMBL10861836 | 0.57 | CES2 (0.42) | — |
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-102245605-B | Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections | ASTRAZENECA AB (SE) | 2016-01-27 | — | — | CN | disclosed |