⚠ 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 SCHEMBL28247503 | 1.00 | — | — | |
| Thiodiglycol SCHEMBL10534858 | 0.95 | TDP1 (1.00) | — | |
| Thiodiglycol SCHEMBL40132 | 0.95 | — | — | |
| Thiodiglycol SCHEMBL28165874 | 0.91 | TDP1 (0.91) | — | |
| Thiodiglycol SCHEMBL22462119 | 0.91 | — | — | |
| SCHEMBL9638413 | 0.91 | TDP1 (0.91) | — | |
| Thiodiglycol SCHEMBL11502476 | 0.91 | — | — | |
| SCHEMBL195715 | 0.91 | TDP1 (0.91) | — | |
| SCHEMBL3900037 | 0.91 | TDP1 (0.91) | — | |
| Water SCHEMBL8165188 | 0.87 | TDP1 (0.83) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102218907-B | Image forming method | FUJI FILM CORP. (JP) | 2015-09-02 | — | — | CN | disclosed |
| CN-103958496-A | Process for preparing N-substituted 1H-pyrazole-5-formate compounds and derivatives thereof | BASF SE | 2014-07-30 | — | — | CN | disclosed |
| CN-102218907-A | Image forming method | FUJIFILM CORP | 2011-10-19 | — | — | CN | disclosed |
| CN-101321835-B | Recording ink, recording ink set, records, ink cartridge, recording method, and inkjet recording apparatus | RICOH CO LTD | 2011-10-12 | — | — | CN | disclosed |
| CN-101321835-A | Recording ink, recording ink set, records, ink cartridge, recording method, and inkjet recording apparatus | RICOH KK (JP) | 2008-12-10 | — | — | CN | disclosed |