⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL686975 | 0.97 | — | — | |
| Water SCHEMBL8648452 | 0.94 | TP53 (0.41) | — | |
| SCHEMBL2959401 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28745221 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27535098 | 0.94 | TP53 (0.41) | — | |
| Water SCHEMBL29042900 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL28596492 | 0.88 | — | — | |
| Pyridine SCHEMBL27455165 | 0.80 | TSHR (0.41) | — | |
| Acrylic Acid SCHEMBL10466356 | 0.75 | HCAR2 (0.44) | — | |
| SCHEMBL11759142 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8207337-B2 | Reagent for organic synthesis reaction containing organic triol borate salt | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-06-26 | — | — | US | disclosed |
| US-20100087646-A1 | REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2010-04-08 | — | — | US | disclosed |