⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6168840 | 0.76 | — | — | |
| SCHEMBL28000927 | 0.74 | — | — | |
| SCHEMBL28018011 | 0.74 | — | — | |
| SCHEMBL18359032 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL8599162 | 0.69 | — | — | |
| SCHEMBL11431821 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL8596886 | 0.66 | ACHE (0.37) | — | |
| SCHEMBL218587 | 0.65 | — | — | |
| SCHEMBL5016993 | 0.63 | — | — | |
| SCHEMBL2530351 | 0.63 | — | — |
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 4 patents. 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 |
| CN-105209453-A | Methylene linked quinolinyl modulators of ROR-gamma-T | JANSSEN PHARMACEUTICA NV | 2015-12-30 | — | — | CN | disclosed |
| CN-105073729-A | Phenyl-linked quinolinyl modulators of ROR γ t | JANSSEN PHARMACEUTICA NV | 2015-11-18 | — | — | CN | disclosed |
| CN-102892759-B | Nitrogen-containing heterocyclic compound having kynurenine production inhibitory action | KYOWA HAKKO KIRIN CO LTD | 2015-06-24 | — | — | CN | disclosed |