⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL279417 | 0.77 | — | — | |
| SCHEMBL2731157 | 0.74 | HMBS (0.41) | — | |
| SCHEMBL1969643 | 0.74 | HMBS (0.41) | — | |
| SCHEMBL4550602 | 0.73 | — | — | |
| SCHEMBL13692394 | 0.70 | — | — | |
| SCHEMBL13689292 | 0.65 | HMBS (0.41) | — | |
| SCHEMBL13505930 | 0.64 | ALDH1A1 (0.51) | — | |
| SCHEMBL6420989 | 0.63 | ALDH1A1 (0.56) | — | |
| SCHEMBL2148753 | 0.63 | GABRP (0.51) | — | |
| SCHEMBL7246818 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130210804-A1 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2013-08-15 | — | — | US | disclosed |
| US-20130210804-A1 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2013-08-15 | — | — | US | disclosed |
| WO-2012061019-A2 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-10 | — | — | WO | disclosed |