⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21579355 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL18583240 | 0.74 | GRM4 (0.33) | — | |
| SCHEMBL19728786 | 0.74 | — | — | |
| SCHEMBL7040799 | 0.74 | — | — | |
| SCHEMBL935938 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL17663674 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL12523114 | 0.68 | — | — | |
| SCHEMBL21189217 | 0.68 | GAA (0.35) | — | |
| SCHEMBL2317873 | 0.68 | TSHR (0.39) | — | |
| SCHEMBL13993101 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105593264-A | Epoxy liquid curing agent compositions | AIR PROD & CHEM | 2016-05-18 | — | — | CN | claimed |
| CN-105593264-A | Epoxy liquid curing agent compositions | AIR PROD & CHEM | 2016-05-18 | — | — | CN | disclosed |