⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29475236 | 0.80 | ACACB (0.34) | — | |
| SCHEMBL29475237 | 0.80 | ACACB (0.34) | — | |
| SCHEMBL29475235 | 0.80 | ACACB (0.34) | — | |
| SCHEMBL29475239 | 0.80 | ACACB (0.34) | — | |
| SCHEMBL3593680 | 0.79 | HTT (0.32) | — | |
| SCHEMBL891739 | 0.76 | — | — | |
| SCHEMBL8046079 | 0.73 | CETP (0.48) | — | |
| SCHEMBL20018135 | 0.73 | — | — | |
| SCHEMBL3670632 | 0.73 | — | — | |
| SCHEMBL12319697 | 0.73 | — | — |
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-6833468-B2 | Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-12-21 | — | — | US | disclosed |
| US-6642409-B2 | Reacting an imine with a hemiacetal; hydrolysis under acid conditions | CENTRAL GLASS COMPANY, LIMITED (JP) | 2003-11-04 | — | — | US | disclosed |