⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83558 | 0.82 | — | — | |
| SCHEMBL19721748 | 0.82 | — | — | |
| SCHEMBL22338493 | 0.79 | SPHK2 (0.33) | — | |
| SCHEMBL19154450 | 0.76 | — | — | |
| SCHEMBL27610603 | 0.73 | — | — | |
| 1,1-Dichloroethene SCHEMBL27727214 | 0.72 | HSD17B10 (0.50) | — | |
| SCHEMBL27950635 | 0.72 | HSD17B10 (0.41) | — | |
| SCHEMBL2046870 | 0.69 | — | — | |
| SCHEMBL131731 | 0.69 | — | — | |
| SCHEMBL14540021 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3228663-A1 | FLUORINE RUBBER COMPOSITION AND CROSS-LINKED FLUORINE RUBBER | Daikin Industries, Ltd. (JP) | 2017-10-11 | — | — | EP | disclosed |
| WO-2017165676-A1 | METHODS FOR SYNTHESIZING α4β7 PEPTIDE ANTAGONISTS | PROTAGONIST THERAPEUTICS, INC. (US) | 2017-09-28 | — | — | WO | disclosed |