⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28099171 | 0.74 | — | — | |
| SCHEMBL11589733 | 0.74 | — | — | |
| SCHEMBL1568646 | 0.72 | — | — | |
| SCHEMBL14765651 | 0.72 | — | — | |
| SCHEMBL2461367 | 0.72 | — | — | |
| SCHEMBL8335317 | 0.72 | — | — | |
| Cyacetacide SCHEMBL678715 | 0.72 | — | — | |
| SCHEMBL18534341 | 0.72 | — | — | |
| SCHEMBL9043407 | 0.72 | — | — | |
| SCHEMBL6217575 | 0.72 | MCL1 (0.74) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106460137-B | Method and formulation for removing rust and scale from steel in a hot dip galvanizing process and for regenerating pickling solutions | 泰尔生态有限公司 | 2019-08-16 | — | — | CN | disclosed |
| WO-1998016826-A1 | IMMUNOASSAY FOR THE DETECTION AND MEASUREMENT OF 2,2-DIBROMO-3-NITRILOPROPIONAMIDE | THE DOW CHEMICAL COMPANY (US) | 1998-04-23 | — | — | WO | disclosed |