⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11311033 | 0.98 | — | — | |
| SCHEMBL11820953 | 0.72 | — | — | |
| SCHEMBL7701653 | 0.72 | GSK3A (0.32) | — | |
| SCHEMBL4737689 | 0.71 | HSD17B10 (0.32) | — | |
| SCHEMBL2227308 | 0.71 | — | — | |
| SCHEMBL4066270 | 0.71 | — | — | |
| SCHEMBL12472883 | 0.71 | — | — | |
| SCHEMBL7113855 | 0.71 | — | — | |
| SCHEMBL8904779 | 0.67 | POLB (0.32) | — | |
| SCHEMBL3841523 | 0.67 | — | — |
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-2005123749-A1 | ORGANOBORON COMPOUND COMPRISING SULPHUR PENTAFLUORIDE | F2 CHEMICALS LIMITED (GB) | 2005-12-29 | — | — | WO | disclosed |