⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12937127 | 1.00 | — | — | |
| SCHEMBL12937124 | 1.00 | — | — | |
| SCHEMBL15182053 | 0.83 | — | — | |
| SCHEMBL14197781 | 0.79 | — | — | |
| SCHEMBL19194215 | 0.73 | — | — | |
| SCHEMBL22016227 | 0.71 | TDP1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL18988415 | 0.71 | — | — | |
| SCHEMBL22016895 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL22017095 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL23683556 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220119383-A1 | QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS | GILEAD SCIENCES, INC. | 2022-04-21 | — | — | US | disclosed |