⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823879 | 0.70 | — | — | |
| SCHEMBL18720843 | 0.70 | — | — | |
| SCHEMBL830964 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL830120 | 0.70 | — | — | |
| SCHEMBL8380272 | 0.70 | — | — | |
| SCHEMBL12547392 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL12546915 | 0.68 | — | — | |
| SCHEMBL12547362 | 0.68 | — | — | |
| SCHEMBL10286005 | 0.68 | NOS3 (0.31) | — | |
| SCHEMBL830188 | 0.67 | NOS3 (0.33) | — |
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-20120142680-A1 | HETEROALKYL LINKED PYRIMIDINE DERIVATIVES | S*BIO PTE LTD. (SG) | 2012-06-07 | — | — | US | disclosed |
| US-20080108630-A1 | SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION | METABOLEX INC. (US) | 2008-05-08 | — | — | US | disclosed |
| US-7323480-B2 | Substituted triazoles as modulators of PPAR and methods of their preparation | METABOLEX, INC. (US) | 2008-01-29 | — | — | US | disclosed |