⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29552434 | 1.00 | — | — | |
| SCHEMBL151729 | 1.00 | — | — | |
| SCHEMBL140952 | 0.86 | — | — | |
| SCHEMBL93389 | 0.86 | — | — | |
| SCHEMBL29413071 | 0.86 | — | — | |
| SCHEMBL31651031 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL703870 | 0.84 | TYR (0.31) | — | |
| SCHEMBL5495550 | 0.83 | OPRM1 (0.36) | — | |
| SCHEMBL17065918 | 0.83 | — | — | |
| SCHEMBL4496349 | 0.82 | OPRM1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106170504-B | Extended room temperature storage epoxy resins | 赫克赛尔公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-104704029-B | Composite material with polyamide particles | 赫克赛尔公司 | 2018-05-25 | — | — | CN | disclosed |
| CN-106170504-A | Extended room temperature storage epoxy resins | 赫克赛尔公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-106062051-A | Composite material with polyamide particle mixtures | 赫克赛尔公司 | 2016-10-26 | — | — | CN | disclosed |