⚠ 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 | |
|---|---|---|---|---|
| Thiodiglycol SCHEMBL40132 | 0.91 | — | — | |
| Thiodiglycol SCHEMBL10534858 | 0.91 | TDP1 (1.00) | — | |
| Thiodiglycol SCHEMBL22462119 | 0.87 | — | — | |
| SCHEMBL3900037 | 0.87 | TDP1 (0.91) | — | |
| SCHEMBL9638413 | 0.87 | TDP1 (0.91) | — | |
| SCHEMBL195715 | 0.87 | TDP1 (0.91) | — | |
| Thiodiglycol SCHEMBL11502476 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL11047600 | 0.83 | TDP1 (0.83) | — | |
| Water SCHEMBL8165188 | 0.83 | TDP1 (0.83) | — | |
| SCHEMBL3808672 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0610515-B1 | PROCESS FOR PRODUCING POLYMER | NIPPON CATALYTIC CHEM IND (JP) | 1997-10-01 | — | — | EP | disclosed |
| EP-0610515-A1 | PROCESS FOR PRODUCING POLYMER | NIPPON SHOKUBAI CO., LTD. (JP) | 1994-08-17 | — | — | EP | disclosed |
| EP-0132910-B1 | LUBRICATING AGENTS FOR PROCESSING FIBRES AND METHOD OF PROCESSING THERMOPLASTIC SYNTHETIC FIBRE FILAMENTS THEREWITH | Takemoto Yushi Kabushiki Kaisha (JP) | 1988-09-28 | — | — | EP | disclosed |
| US-4502968-A | SILYLATED POLYETHER | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 1985-03-05 | — | — | US | disclosed |