⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL862478 | 0.85 | — | — | |
| SCHEMBL21258196 | 0.82 | HRH1 (0.36) | — | |
| SCHEMBL16191111 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL9406311 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL9406314 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL1986118 | 0.77 | — | — | |
| SCHEMBL8274293 | 0.77 | — | — | |
| SCHEMBL18234215 | 0.77 | — | — | |
| SCHEMBL9561918 | 0.76 | CYP1A2 (0.37) | — | |
| SCHEMBL9561920 | 0.76 | CYP1A2 (0.37) | — |
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-9708336-B2 | Metallo-beta-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| US-20160333021-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-11-17 | — | — | US | disclosed |
| WO-2009097113-A2 | OXAZOLE AND THIAZOLE COMPOUNDS AS B-CATENIN MODULATORS AND USES THEREOF | NEW YORK UNIVERSITY (US) | 2009-08-06 | — | — | WO | disclosed |
| EP-1192134-B1 | PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL | AVENTIS PHARMA INC (US) | 2007-09-19 | — | — | EP | disclosed |