⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28403721 | 0.93 | — | — | |
| SCHEMBL28403720 | 0.93 | — | — | |
| SCHEMBL3024409 | 0.93 | — | — | |
| SCHEMBL8500804 | 0.88 | — | — | |
| SCHEMBL9691003 | 0.88 | — | — | |
| SCHEMBL8500800 | 0.88 | — | — | |
| SCHEMBL9691006 | 0.88 | — | — | |
| SCHEMBL9690528 | 0.88 | — | — | |
| SCHEMBL9690525 | 0.88 | — | — | |
| SCHEMBL6109509 | 0.86 | CYSLTR2 (0.53) | — |
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-20100217004-A1 | PROCESS FOR THE PRODUCTION OF TERTIARY ALCOHOLS | LONZA, LTD. (CH) | 2010-08-26 | — | — | US | disclosed |