⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1543140 | 1.00 | — | — | |
| SCHEMBL14831175 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28067459 | 0.98 | BIRC2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL27858890 | 0.98 | BIRC2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL17560434 | 0.98 | BIRC2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL27858884 | 0.98 | BIRC2 (0.36) | — | |
| Bromide SCHEMBL30671643 | 0.98 | BIRC2 (0.36) | — | |
| SCHEMBL26601163 | 0.79 | TSHR (0.46) | — | |
| SCHEMBL23172671 | 0.77 | — | — | |
| SCHEMBL28758668 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458985-B | 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use | 艾伯维公司 | 2019-05-03 | — | — | CN | claimed |
| CN-106458985-A | 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use | 艾伯维公司 | 2017-02-22 | — | — | CN | claimed |
| US-20250043353-A1 | BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE | MILLENNIUM PHARM INC (US) | 2025-02-06 | — | — | US | disclosed |
| CN-117693502-A | Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same | 纽力克斯治疗公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-106458985-B | 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use | 艾伯维公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-106458985-A | 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use | 艾伯维公司 | 2017-02-22 | — | — | CN | disclosed |