⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL148913 | 0.79 | — | — | |
| Water SCHEMBL28574141 | 0.76 | — | — | |
| SCHEMBL29165412 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29099793 | 0.76 | — | — | |
| Boric Acid SCHEMBL7466602 | 0.71 | — | — | |
| SCHEMBL268408 | 0.69 | — | — | |
| SCHEMBL11769146 | 0.69 | — | — | |
| SCHEMBL45446 | 0.69 | — | — | |
| SCHEMBL270140 | 0.69 | — | — | |
| SCHEMBL8516941 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4446300-A | DIELECTRICS, FORMING TRIS/2-HYDROXYETHYL/ISOCYANURATE IN SITU FROM CYANURIC ACID AND ETHYLENE CARBONATE | THE P. D. GEORGE COMPANY (US) | 1984-05-01 | — | — | US | disclosed |