⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2969868 | 0.59 | — | — | |
| SCHEMBL22788373 | 0.59 | — | — | |
| SCHEMBL141709 | 0.59 | — | — | |
| SCHEMBL1490965 | 0.56 | — | — | |
| SCHEMBL16140149 | 0.56 | — | — | |
| SCHEMBL18776484 | 0.56 | — | — | |
| SCHEMBL18499325 | 0.56 | — | — | |
| SCHEMBL141708 | 0.56 | — | — | |
| SCHEMBL10961085 | 0.56 | — | — | |
| SCHEMBL2969871 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2392400-B1 | Homogeneous asymmetric hydrogenation method | TAKASAGO PERFUMERY CO LTD (JP) | 2014-05-07 | — | — | EP | disclosed |
| EP-2392400-A2 | Homogeneous asymmetric hydrogenation catalyst | Takasago International Corporation (JP) | 2011-12-07 | — | — | EP | disclosed |
| EP-2035464-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147857-A1 | 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS | BASF SE (DE) | 2007-12-27 | — | — | WO | disclosed |