⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL220310 | 0.81 | KDM4E (0.77) | — | |
| SCHEMBL16359624 | 0.79 | — | — | |
| Hydrazine SCHEMBL28064827 | 0.78 | KDM4E (0.72) | — | |
| SCHEMBL2612192 | 0.77 | — | — | |
| SCHEMBL8163507 | 0.74 | KDM4E (0.59) | — | |
| Acetone SCHEMBL22554792 | 0.74 | CTSD (0.59) | — | |
| Acetone SCHEMBL6392906 | 0.74 | CTSD (0.59) | — | |
| SCHEMBL31364147 | 0.73 | KDM4E (0.52) | — | |
| SCHEMBL10957159 | 0.73 | KDM4E (0.52) | — | |
| SCHEMBL14923078 | 0.73 | FAAH (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3677579-A1 | HETEROCYCLIC GLS1 INHIBITORS | Board of Regents, The University of Texas System (US) | 2020-07-08 | — | — | EP | disclosed |
| WO-2005080317-A2 | THERAPEUTIC AMIDE DERIVATIVES | PFIZER JAPAN, INC. (JP) | 2005-09-01 | — | — | WO | disclosed |