⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9006962 | 0.87 | TDP1 (0.62) | — | |
| SCHEMBL8985688 | 0.87 | TDP1 (0.62) | — | |
| Thiodiglycol SCHEMBL40132 | 0.82 | — | — | |
| Thiodiglycol SCHEMBL10534858 | 0.82 | TDP1 (1.00) | — | |
| SCHEMBL2058205 | 0.82 | — | — | |
| SCHEMBL18069676 | 0.82 | — | — | |
| SCHEMBL195715 | 0.78 | TDP1 (0.91) | — | |
| SCHEMBL9638413 | 0.78 | TDP1 (0.91) | — | |
| SCHEMBL9787668 | 0.78 | TDP1 (0.50) | — | |
| Thiodiglycol SCHEMBL22462119 | 0.78 | — | — |
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-2897599-B1 | SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES | UNIV TEMPLE (US) | 2020-12-30 | — | — | EP | disclosed |
| EP-0717744-B1 | A PROCESS FOR THE PREPARATION OF 9-(2-HYDROXY)-ETHOXYMETHYL-GUANINE | RECORDATI CHEM PHARM (CH) | 1997-05-07 | — | — | EP | disclosed |
| US-4621098-A | Thioethers and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1986-11-04 | — | — | US | disclosed |