⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16812302 | 0.80 | — | — | |
| SCHEMBL19026914 | 0.80 | — | — | |
| SCHEMBL25920086 | 0.78 | PPARA (0.33) | — | |
| SCHEMBL8010225 | 0.77 | — | — | |
| SCHEMBL18934344 | 0.76 | — | — | |
| SCHEMBL25920412 | 0.75 | PPARA (0.35) | — | |
| SCHEMBL22868250 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL22903920 | 0.72 | — | — | |
| SCHEMBL14218079 | 0.72 | GRIK1 (0.31) | — | |
| SCHEMBL19170622 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023209368-A1 | NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR | Cerevance, Inc. (US) | 2023-11-02 | — | — | WO | disclosed |
| WO-2012052996-A2 | NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2012-04-26 | — | — | WO | disclosed |