⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11791294 | 0.87 | — | — | |
| SCHEMBL6684911 | 0.87 | — | — | |
| SCHEMBL12654720 | 0.82 | — | — | |
| SCHEMBL6748303 | 0.82 | — | — | |
| SCHEMBL2639775 | 0.82 | — | — | |
| SCHEMBL5868328 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL7927993 | 0.78 | CES1 (0.36) | — | |
| SCHEMBL7927996 | 0.78 | CES1 (0.36) | — | |
| SCHEMBL19994697 | 0.76 | CES2 (0.39) | — | |
| SCHEMBL73306 | 0.74 | — | — |
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-1311572-B1 | BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE | 3M INNOVATIVE PROPERTIES CO (US) | 2011-12-21 | — | — | EP | disclosed |
| US-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |
| WO-1995000515-A1 | CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-01-05 | — | — | WO | disclosed |