⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27621473 | 0.80 | — | — | |
| SCHEMBL17626591 | 0.78 | CTSA (0.40) | — | |
| SCHEMBL17626535 | 0.78 | CTSA (0.40) | — | |
| SCHEMBL17626471 | 0.78 | CTSA (0.40) | — | |
| SCHEMBL776263 | 0.76 | LAP3 (0.36) | — | |
| SCHEMBL11745106 | 0.74 | LAP3 (0.34) | — | |
| SCHEMBL4940649 | 0.74 | — | — | |
| SCHEMBL4906435 | 0.74 | CTSA (0.33) | — | |
| SCHEMBL779228 | 0.73 | LAP3 (0.37) | — | |
| SCHEMBL28390048 | 0.73 | METAP1 (0.45) | — |
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-101475586-A | Method for synthesizing chlorinated phosphonate compounds | UNIV SHANGHAI ENG SCIENCE (CN) | 2009-07-08 | — | — | CN | claimed |
| CN-101475586-A | Method for synthesizing chlorinated phosphonate compounds | UNIV SHANGHAI ENG SCIENCE (CN) | 2009-07-08 | — | — | CN | disclosed |