⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11764427 | 0.76 | — | — | |
| SCHEMBL1487524 | 0.74 | — | — | |
| SCHEMBL11007932 | 0.73 | — | — | |
| SCHEMBL14150449 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL443221 | 0.68 | — | — | |
| SCHEMBL7027995 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL19548405 | 0.68 | — | — | |
| SCHEMBL11694167 | 0.68 | — | — | |
| SCHEMBL29041089 | 0.67 | — | — | |
| SCHEMBL11692405 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8361555-B2 | Hydroxy alkyl isocyanurates | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-01-29 | — | — | US | disclosed |
| US-20100272907-A1 | HYDROXY ALKYL ISOCYANURATES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-10-28 | — | — | US | disclosed |
| EP-2225303-A1 | HYDROXY ALKYL ISOCYANURATES | E. I. du Pont de Nemours and Company (US) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009086253-A1 | HYDROXY ALKYL ISOCYANURATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-09 | — | — | WO | disclosed |
| US-4063020-A | Mixed hydroxymethyl-hydroxyalkyl isocyanurates | STAMICARBON, B.V. (NL) | 1977-12-13 | — | — | US | disclosed |