⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5713386 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL10502232 | 0.72 | — | — | |
| SCHEMBL27604931 | 0.72 | NFE2L2 (0.47) | — | |
| SCHEMBL28081467 | 0.71 | — | — | |
| SCHEMBL9115050 | 0.71 | — | — | |
| SCHEMBL10149533 | 0.71 | — | — | |
| SCHEMBL9115046 | 0.71 | — | — | |
| SCHEMBL544926 | 0.70 | — | — | |
| SCHEMBL10149616 | 0.70 | TNF (0.51) | — | |
| SCHEMBL20535558 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3691990-A1 | HALOGENATED HETEROALKENYL- AND HETEROALKYL-FUNCTIONALIZED ORGANIC COMPOUNDS AND METHODS FOR PREPARING SUCH COMPOUNDS | Arkema Inc. (US) | 2020-08-12 | — | — | EP | disclosed |
| WO-2019067394-A1 | HALOGENATED HETEROALKENYL- AND HETEROALKYL-FUNCTIONALIZED ORGANIC COMPOUNDS AND METHODS FOR PREPARING SUCH COMPOUNDS | ARKEMA INC. (US) | 2019-04-04 | — | — | WO | disclosed |