⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13202041 | 0.82 | GAA (0.36) | — | |
| SCHEMBL11152233 | 0.79 | NPC1 (0.30) | — | |
| Pemerid SCHEMBL2109778 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL13145828 | 0.77 | — | — | |
| SCHEMBL19417561 | 0.75 | — | — | |
| SCHEMBL15144005 | 0.75 | — | — | |
| SCHEMBL9237460 | 0.73 | EPHX2 (0.30) | — | |
| SCHEMBL16452408 | 0.73 | — | — | |
| SCHEMBL19663721 | 0.73 | — | — | |
| SCHEMBL11170216 | 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 |
|---|---|---|---|---|---|---|---|
| US-7776182-B2 | Chlorohydrin and cationic compounds having high affinity for pulp or paper | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2010-08-17 | — | — | US | disclosed |
| US-20080060775-A1 | Chlorohydrin and cationic compounds having high affinity for pulp or paper | CUNKLE GLEN T | 2008-03-13 | — | — | US | disclosed |
| US-7312332-B2 | Such as 1-butyl-3-hydroxy-1-[2-hydroxy-3-(1-oxyl-2,2,6,6-tetramethyl-piperidin-4-yloxy)-propyl]-azetidinium chloride; yellowing and discoloration prevention; ultraviolet, fluorescent and solar light stability; expanding use of high yield pulps to higher grade products | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2007-12-25 | — | — | US | disclosed |