⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28645677 | 0.90 | USP5 (0.31) | — | |
| SCHEMBL17870763 | 0.79 | CDK9 (0.33) | — | |
| SCHEMBL19873812 | 0.73 | — | — | |
| SCHEMBL17870816 | 0.72 | TYMP (0.31) | — | |
| SCHEMBL5052544 | 0.66 | TP53 (0.34) | — | |
| SCHEMBL28645675 | 0.65 | TRPA1 (0.31) | — | |
| SCHEMBL28645676 | 0.65 | TRPA1 (0.31) | — | |
| SCHEMBL28643677 | 0.65 | USP5 (0.33) | — | |
| SCHEMBL28643680 | 0.65 | USP5 (0.33) | — | |
| SCHEMBL28645672 | 0.65 | USP5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3237403-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | Galderma Research & Development (FR) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102882-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2016-06-30 | — | — | WO | disclosed |