⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL435482 | 0.64 | — | — | |
| SCHEMBL2102618 | 0.63 | — | — | |
| SCHEMBL9620918 | 0.63 | — | — | |
| SCHEMBL8677188 | 0.60 | KDM4E (0.40) | — | |
| SCHEMBL3667828 | 0.59 | IDO1 (0.35) | — | |
| SCHEMBL3118101 | 0.59 | GAA (0.39) | — | |
| SCHEMBL5100128 | 0.59 | KDM4E (0.30) | — | |
| SCHEMBL4190469 | 0.59 | ALOX5 (0.32) | — | |
| SCHEMBL8616259 | 0.59 | — | — | |
| SCHEMBL8131491 | 0.58 | CYP2D6 (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689729-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. Hoffmann-La Roche AG (CH) | 2006-08-16 | — | — | EP | claimed |
| WO-2005058857-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | claimed |
| US-5231104-A | Anticholinergic | PFIZER INC. (US) | 1993-07-27 | — | — | US | claimed |
| EP-2379505-A1 | MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY | Designmedix, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010065932-A1 | MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY | DESIGNMEDIX, INC. (US) | 2010-06-10 | — | — | WO | disclosed |
| EP-1438309-A1 | QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS | UCB, S.A. (BE) | 2004-07-21 | — | — | EP | disclosed |
| EP-1315736-A2 | NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-04 | — | — | EP | disclosed |
| WO-2003033495-A1 | QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS | UCB, S.A. (BE) | 2003-04-24 | — | — | WO | disclosed |
| WO-2002018404-A2 | NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-07 | — | — | WO | disclosed |