⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5865223 | 0.83 | — | — | |
| SCHEMBL5864811 | 0.81 | KDM1A (0.34) | — | |
| SCHEMBL5865309 | 0.78 | CNR1 (0.33) | — | |
| Fumaric Acid SCHEMBL5865383 | 0.76 | ASIC3 (0.33) | — | |
| Fumaric Acid SCHEMBL27590265 | 0.76 | ASIC3 (0.33) | — | |
| Fumaric Acid SCHEMBL5865388 | 0.76 | ASIC3 (0.33) | — | |
| SCHEMBL5865078 | 0.73 | ASIC3 (0.36) | — | |
| SCHEMBL5865264 | 0.67 | CYP19A1 (0.35) | — | |
| SCHEMBL5865169 | 0.65 | CYP19A1 (0.35) | — | |
| Fumaric Acid SCHEMBL5865432 | 0.62 | GRIN2D (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7034044-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2006-04-25 | — | — | US | disclosed |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER | 2006-03-16 | — | — | US | disclosed |
| US-6951875-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2005-10-04 | — | — | US | disclosed |
| EP-1443926-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| US-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER (FR) | 2004-04-08 | — | — | US | disclosed |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. | 2003-07-31 | — | — | US | disclosed |
| WO-2003037333-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-08 | — | — | WO | disclosed |