⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3955625 | 0.91 | — | — | |
| SCHEMBL17632874 | 0.82 | — | — | |
| SCHEMBL1808281 | 0.77 | GRIN2D (0.33) | — | |
| SCHEMBL16039854 | 0.76 | — | — | |
| SCHEMBL15022961 | 0.72 | — | — | |
| SCHEMBL3068816 | 0.72 | EPHX2 (0.60) | — | |
| SCHEMBL3082239 | 0.72 | EPHX2 (0.60) | — | |
| SCHEMBL3072038 | 0.72 | EPHX2 (0.33) | — | |
| SCHEMBL3071718 | 0.72 | EPHX2 (0.43) | — | |
| SCHEMBL3079023 | 0.72 | EPHX2 (0.43) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217597-A1 | QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | COMENTIS, INC. (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009046025-A1 | QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | COMENTIS, INC. (US) | 2009-04-09 | — | — | WO | disclosed |
| EP-1028961-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999021855-A1 | PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-05-06 | — | — | WO | disclosed |
| US-3939162-A | Anthrapyrimidine dyes | BASF AKTIENGESELLSCHAFT (DT) | 1976-02-17 | — | — | US | disclosed |