⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12847282 | 0.78 | — | — | |
| SCHEMBL779252 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17258785 | 0.75 | — | — | |
| SCHEMBL15673083 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL2882816 | 0.73 | — | — | |
| SCHEMBL21046065 | 0.73 | — | — | |
| SCHEMBL12988561 | 0.72 | GRIA1 (0.41) | — | |
| SCHEMBL2882818 | 0.71 | — | — | |
| SCHEMBL15741659 | 0.71 | — | — | |
| SCHEMBL20730784 | 0.71 | — | — |
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 2 patents. 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 |
| US-20100055621-A1 | Patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-03-04 | — | — | US | disclosed |