⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3156105 | 0.83 | SLC22A6 (0.54) | — | |
| SCHEMBL28519506 | 0.83 | — | — | |
| SCHEMBL27441194 | 0.79 | PTGS1 (0.46) | — | |
| SCHEMBL6771699 | 0.79 | SLC22A6 (0.34) | — | |
| SCHEMBL28907591 | 0.79 | HDAC1 (0.37) | — | |
| SCHEMBL6771694 | 0.77 | SLC22A6 (0.33) | — | |
| SCHEMBL27618016 | 0.75 | PTGS1 (0.41) | — | |
| SCHEMBL6515462 | 0.71 | — | — | |
| SCHEMBL27508411 | 0.71 | — | — | |
| SCHEMBL270129 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102735524-B | Method for recovering metal and kit for recovery of metal for use in the same | ARKRAY INC | 2014-11-12 | — | — | CN | claimed |
| US-5658545-A | AIR POLLUTION CONTROL | THE REGENTS OF CALIFORNIA (US) | 1997-08-19 | — | — | US | disclosed |
| WO-1996030299-A1 | METHOD OF REGENERATION OF IRON CHELATES IN NITRIC OXIDE SCRUBBING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-10-03 | — | — | WO | disclosed |
| US-5370849-A | Using a water soluble dimercapto compound ligand where the mercapto groups are attached to adjacent carbon atoms and contain a polar functional group | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-12-06 | — | — | US | disclosed |