⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27842214 | 0.93 | — | — | |
| SCHEMBL15314 | 0.76 | — | — | |
| SCHEMBL821088 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL9290864 | 0.76 | — | — | |
| SCHEMBL2563802 | 0.76 | — | — | |
| SCHEMBL17158347 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL25271366 | 0.72 | — | — | |
| Water SCHEMBL1781386 | 0.72 | — | — | |
| Water SCHEMBL7755978 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL28560964 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102212044-A | Synthesis method for oxetane compounds | YAN ZHAO | 2011-10-12 | — | — | CN | disclosed |
| EP-1034177-B1 | PROCESS FOR PRODUCING HALOGEN-CONTAINING PHOSPHATE ESTER | DAIHACHI CHEM IND (JP) | 2003-03-26 | — | — | EP | disclosed |
| US-6211396-B1 | REACTING A PHOSPHORUS HALIDE SELECTED FROM PHOSPHORUS OXYHALIDES AND PHOSPHORUS PENTAHALIDES WITH A HALOGEN-CONTAINING HYDROXY COMPOUND TO OBTAIN A REACTION MIXTURE INCLUDING A HALOGEN-CONTAINING PHOSPHATE ESTER | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-04-03 | — | — | US | disclosed |