⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1895084 | 0.80 | — | — | |
| SCHEMBL27704545 | 0.74 | — | — | |
| SCHEMBL25190410 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL127066 | 0.72 | — | — | |
| SCHEMBL25188518 | 0.72 | — | — | |
| SCHEMBL25192366 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL27606434 | 0.70 | — | — | |
| SCHEMBL28053574 | 0.70 | CHEK1 (0.31) | — | |
| SCHEMBL27585478 | 0.69 | — | — | |
| SCHEMBL2965372 | 0.69 | MEN1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107428915-A | Curing agent and curing accelerator (II) having flame retardant effect for curing epoxy resin | 澳泽化学股份公司 | 2017-12-01 | — | — | CN | disclosed |