⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9665535 | 0.79 | MAPT (0.30) | — | |
| SCHEMBL799192 | 0.79 | — | — | |
| SCHEMBL28163260 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL21592509 | 0.74 | — | — | |
| SCHEMBL20034867 | 0.74 | MAPT (0.35) | — | |
| SCHEMBL3671593 | 0.74 | — | — | |
| SCHEMBL14558217 | 0.74 | MAPT (0.35) | — | |
| SCHEMBL3692250 | 0.72 | — | — | |
| SCHEMBL24723653 | 0.70 | CYP3A4 (0.31) | — | |
| SCHEMBL10656196 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170333419-A1 | NOVEL ANTI-INFLAMMATORY AGENTS | RESVERLOGIX CORP. (CA) | 2017-11-23 | — | — | US | disclosed |
| EP-2178842-A2 | 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE | Abbott GmbH & Co. KG (DE) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009024611-A2 | 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE | ABBOTT GMBH & CO. KG (DE) | 2009-02-26 | — | — | WO | disclosed |