⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10580860 | 0.66 | — | — | |
| SCHEMBL2319429 | 0.65 | — | — | |
| SCHEMBL9359715 | 0.56 | — | — | |
| SCHEMBL4690979 | 0.55 | EPHX1 (0.31) | — | |
| SCHEMBL20995409 | 0.55 | — | — | |
| SCHEMBL23243436 | 0.54 | TSHR (0.30) | — | |
| SCHEMBL457992 | 0.54 | L3MBTL1 (0.31) | — | |
| SCHEMBL24798926 | 0.54 | TSHR (0.36) | — | |
| SCHEMBL2782396 | 0.54 | — | — | |
| SCHEMBL31192023 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090069320-A1 | Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof | GRUENENTHAL GMBH (DE) | 2009-03-12 | — | — | US | disclosed |