⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8535690 | 0.91 | CES1 (0.41) | — | |
| SCHEMBL199217 | 0.84 | — | — | |
| SCHEMBL10074493 | 0.81 | — | — | |
| SCHEMBL8542087 | 0.81 | CES2 (0.48) | — | |
| SCHEMBL11616122 | 0.79 | CES2 (0.52) | — | |
| SCHEMBL11705701 | 0.79 | CES2 (0.52) | — | |
| SCHEMBL11702016 | 0.79 | CES2 (0.52) | — | |
| SCHEMBL26650650 | 0.79 | CES2 (0.52) | — | |
| SCHEMBL7155016 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL21882 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013043491-A1 | METHOD OF USING DITHIAZINES AND DERIVATIVES THEREOF IN THE TREATMENT OF WELLS | BAKER HUGHES INCORPORATED (US) | 2013-03-28 | — | — | WO | disclosed |