⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10778290 | 0.73 | CYP3A4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8662463 | 0.71 | CYP3A4 (0.31) | — | |
| SCHEMBL2358074 | 0.69 | HDAC4 (0.33) | — | |
| SCHEMBL6177320 | 0.67 | — | — | |
| SCHEMBL5453204 | 0.66 | — | — | |
| SCHEMBL10776105 | 0.62 | — | — | |
| SCHEMBL17008406 | 0.54 | — | — | |
| Cyclohexane SCHEMBL27575916 | 0.51 | CA1 (0.50) | — | |
| Benzene SCHEMBL10964916 | 0.51 | CA1 (0.71) | — | |
| Benzene SCHEMBL10961254 | 0.51 | CA1 (0.71) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104736140-A | mGlu2/3 antagonists for the treatment of autistic disorders | HOFFMANN LA ROCHE | 2015-06-24 | — | — | CN | disclosed |
| EP-1255735-A2 | PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS | ELI LILLY AND COMPANY (US) | 2002-11-13 | — | — | EP | disclosed |
| EP-1189873-A1 | EXCITATORY AMINO ACID RECEPTOR MODULATORS | Lilly, S.A. (ES) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001056990-A2 | PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS | ELI LILLY AND COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |
| WO-2000075101-A1 | EXCITATORY AMINO ACID RECEPTOR MODULATORS | LILLY, S.A. (ES) | 2000-12-14 | — | — | WO | disclosed |