⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276048 | 0.77 | — | — | |
| SCHEMBL2730789 | 0.74 | DAO (0.36) | — | |
| SCHEMBL4550795 | 0.73 | — | — | |
| SCHEMBL23952547 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL19678145 | 0.66 | DAO (0.33) | — | |
| SCHEMBL276286 | 0.65 | ALDH1A1 (0.60) | — | |
| SCHEMBL13720481 | 0.65 | GRN (0.40) | — | |
| SCHEMBL24112863 | 0.64 | CREBBP (0.61) | — | |
| SCHEMBL826359 | 0.64 | NPC1 (0.55) | — | |
| SCHEMBL5174484 | 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 4 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 |
| WO-2012061019-A2 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-10 | — | — | WO | disclosed |
| US-20120040998-A1 | 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS | MERCER SWATI P (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2010124055-A1 | 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-28 | — | — | WO | disclosed |