⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18536299 | 0.78 | — | — | |
| SCHEMBL5383072 | 0.78 | — | — | |
| SCHEMBL329436 | 0.78 | — | — | |
| SCHEMBL23222761 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL21926752 | 0.74 | — | — | |
| SCHEMBL23609757 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL24031204 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL15121166 | 0.72 | — | — | |
| SCHEMBL14543055 | 0.72 | — | — | |
| SCHEMBL16938589 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3725775-A1 | PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS | Syntrix Biosystems, Inc. (US) | 2020-10-21 | — | — | EP | disclosed |
| US-10392381-B2 | Prevention and treatment of non-alcoholic fatty liver disease | OHIO UNIVERSITY (US) | 2019-08-27 | — | — | US | disclosed |
| US-20130109684-A1 | GRP94 INHIBITORS | UNIVERSITY OF KANSAS (US) | 2013-05-02 | — | — | US | disclosed |