⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8980278 | 0.87 | PDE10A (0.53) | — | |
| SCHEMBL10200066 | 0.86 | NPC1 (0.46) | — | |
| SCHEMBL340481 | 0.81 | — | — | |
| SCHEMBL13232484 | 0.80 | — | — | |
| SCHEMBL10200068 | 0.78 | — | — | |
| SCHEMBL10200460 | 0.77 | NPC1 (0.46) | — | |
| SCHEMBL25282379 | 0.77 | NPC1 (0.67) | — | |
| SCHEMBL29411871 | 0.77 | NPC1 (0.67) | — | |
| SCHEMBL8980492 | 0.75 | — | — | |
| SCHEMBL339154 | 0.72 | PDE10A (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3112348-A1 | SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES | Tairx, Inc. (TW) | 2017-01-04 | — | — | EP | disclosed |
| EP-2593435-B1 | SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES | TAIRX INC (TW) | 2016-09-07 | — | — | EP | disclosed |
| US-8524740-B2 | Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives | TAIRX, INC. (TW) | 2013-09-03 | — | — | US | disclosed |
| US-8524740-B2 | Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives | TAIRX, INC. (TW) | 2013-09-03 | — | — | US | disclosed |
| EP-2593435-A1 | SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES | Tairx, Inc. (TW) | 2013-05-22 | — | — | EP | disclosed |
| US-20120015908-A1 | SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES | Efficient Pharma Management Corporate (TW) | 2012-01-19 | — | — | US | disclosed |
| US-20120015908-A1 | SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES | Efficient Pharma Management Corporate (TW) | 2012-01-19 | — | — | US | disclosed |
| WO-2012009519-A1 | SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES | EFFICIENT PHARMA MANAGEMENT CORP. (TW) | 2012-01-19 | — | — | WO | disclosed |