⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL918405 | 0.68 | HSD11B1 (0.36) | — | |
| SCHEMBL22966325 | 0.63 | MEN1 (0.37) | — | |
| SCHEMBL28065687 | 0.63 | LMNA (0.52) | — | |
| SCHEMBL9244667 | 0.63 | PNMT (0.34) | — | |
| SCHEMBL24787 | 0.62 | CA1 (0.32) | — | |
| SCHEMBL17042804 | 0.61 | PGR (0.55) | — | |
| SCHEMBL15224663 | 0.60 | ESR1 (0.47) | — | |
| SCHEMBL918552 | 0.59 | ESR1 (0.48) | — | |
| SCHEMBL3416033 | 0.59 | ESR1 (0.48) | — | |
| SCHEMBL918042 | 0.59 | ESR1 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428941-B | Amidino group-containing catalyst | SIKA技术股份公司 | 2020-11-24 | — | — | CN | disclosed |
| CN-107735438-B | Guanidino-containing catalysts | SIKA技术股份公司 | 2020-06-09 | — | — | CN | disclosed |
| EP-3294803-A1 | CATALYST CONTAINING GUANIDINE GROUPS | Sika Technology AG (CH) | 2018-03-21 | — | — | EP | disclosed |
| US-5350635-A | Epoxy compounds or epoxy resins as adhesives | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1994-09-27 | — | — | US | disclosed |