⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8458391 | 0.68 | — | — | |
| SCHEMBL29056809 | 0.56 | — | — | |
| SCHEMBL22215852 | 0.56 | MEN1 (0.43) | — | |
| SCHEMBL29135329 | 0.56 | — | — | |
| SCHEMBL9639084 | 0.55 | CA2 (0.53) | — | |
| SCHEMBL6232531 | 0.55 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL7726630 | 0.55 | MEN1 (0.38) | — | |
| SCHEMBL28606954 | 0.54 | — | — | |
| SCHEMBL7921311 | 0.54 | — | — | |
| SCHEMBL18539815 | 0.54 | POLB (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5674876-A | ANTIPROLIFERATIVE,-CARCINOGENIC AND -TUMOR AGENTS; SKIN DISORDERS; FREE RADICAL SCAVENGERS | RESEARCH DEVELOPMENT FOUNDATION (US) | 1997-10-07 | — | — | US | disclosed |
| WO-1996022089-A1 | p-HETEROATOM-SUBSTITUTED PHENOLS AND USES THEREOF | RESEARCH DEVELOPMENT FOUNDATION (US) | 1996-07-25 | — | — | WO | disclosed |