⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15951511 | 0.86 | — | — | |
| SCHEMBL5533465 | 0.78 | ALDH1A1 (0.72) | — | |
| SCHEMBL11097335 | 0.75 | — | — | |
| SCHEMBL3074569 | 0.73 | — | — | |
| SCHEMBL5830059 | 0.73 | ALDH1A1 (0.83) | — | |
| SCHEMBL203440 | 0.73 | — | — | |
| SCHEMBL11127833 | 0.73 | ALDH1A1 (0.94) | — | |
| SCHEMBL24234909 | 0.71 | ALDH1A1 (0.62) | — | |
| SCHEMBL14943275 | 0.71 | — | — | |
| SCHEMBL10873869 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017019772-A1 | MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF | Sanford Burnham Prebys Medical Discovery Institute (US) | 2017-02-02 | — | — | WO | disclosed |
| WO-2014144737-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-09-18 | — | — | WO | disclosed |
| WO-2014124230-A2 | ERK INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2007078661-A2 | SILICON-CONTAINING MONOMERS END-CAPPED WITH POLYMERIZABLE CATIONIC HYDROPHILIC GROUPS | BAUSCH & LOMB INCORPORATED (US) | 2007-07-12 | — | — | WO | disclosed |