⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3083950 | 0.77 | — | — | |
| SCHEMBL3346978 | 0.72 | FFAR1 (0.45) | — | |
| SCHEMBL20764831 | 0.70 | — | — | |
| SCHEMBL8302182 | 0.67 | CYP2A6 (0.44) | — | |
| SCHEMBL27633778 | 0.66 | CYP2A6 (0.50) | — | |
| SCHEMBL5788333 | 0.65 | — | — | |
| SCHEMBL10514000 | 0.65 | — | — | |
| SCHEMBL113923 | 0.64 | — | — | |
| SCHEMBL722595 | 0.64 | CYP2A6 (0.56) | — | |
| SCHEMBL3084000 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119080764-A | Thiophene functionalized column [5] arene and preparation method and application thereof | 四川农业大学 | 2024-12-06 | — | — | CN | claimed |
| CN-119080764-A | Thiophene functionalized column [5] arene and preparation method and application thereof | 四川农业大学 | 2024-12-06 | — | — | CN | disclosed |
| US-20120178742-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-07-12 | — | — | US | disclosed |
| EP-2462142-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | Merz Pharma GmbH & Co. KGaA (DE) | 2012-06-13 | — | — | EP | disclosed |
| CN-102471334-A | Metabotropic glutamate receptor modulators | MERZ PHARMA GMBH & CO KGAA | 2012-05-23 | — | — | CN | disclosed |
| WO-2010063487-A1 | PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-10 | — | — | WO | disclosed |
| US-20040110802-A1 | Antibacterial benzoic acid derivatives | PHARMACIA & UPJOHN COMPANY | 2004-06-10 | — | — | US | disclosed |
| WO-2004018428-A1 | ANTIBACTERIAL BENZOIC ACID DERIVATIVES | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |