⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7397871 | 1.00 | — | — | |
| SCHEMBL22319224 | 0.78 | — | — | |
| SCHEMBL12749364 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL6441479 | 0.76 | FAAH (0.33) | — | |
| SCHEMBL6441473 | 0.76 | FAAH (0.33) | — | |
| SCHEMBL299245 | 0.75 | — | — | |
| SCHEMBL28601116 | 0.75 | HTT (0.45) | — | |
| SCHEMBL15844009 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL15844011 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL7401996 | 0.74 | PTGS1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6498180-B1 | SUCH AS 2-(3'-HYDROXYMETHYL-2'-CARBOXYCYCLOPROPYL)GLYCINE; MODULATING METABOTROPIC GLUTAMATE RECEPTOR; TREATING DISORDERS OF CENTRAL NERVOUS | ELI LILLY AND COMPANY | 2002-12-24 | — | — | US | disclosed |