⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7639495 | 0.60 | — | — | |
| SCHEMBL2340331 | 0.58 | — | — | |
| SCHEMBL28483958 | 0.58 | — | — | |
| SCHEMBL17060813 | 0.57 | — | — | |
| SCHEMBL1787750 | 0.56 | PEPD (0.56) | — | |
| SCHEMBL29840068 | 0.56 | GAA (0.67) | — | |
| SCHEMBL5062623 | 0.56 | PEPD (0.80) | — | |
| SCHEMBL3928666 | 0.56 | GAA (0.67) | — | |
| SCHEMBL3470061 | 0.55 | CYP1A2 (0.42) | — | |
| SCHEMBL1594378 | 0.55 | LMNA (0.52) | — |
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-20130133102-A1 | TARGETING SIGNAL FOR INTEGRATING PROTEINS, PEPTIDES AND BIOLOGICAL MOLECULES INTO BACTERIAL MICROCOMPARTMENTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-05-23 | — | — | US | disclosed |
| US-20120210459-A1 | Design and Implementation of Novel and/or Enhanced Bacterial Microcompartments for Customizing Metabolism | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-08-16 | — | — | US | disclosed |
| US-20090186358-A1 | Pathway Analysis of Cell Culture Phenotypes and Uses Thereof | WYETH (US) | 2009-07-23 | — | — | US | disclosed |