⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28525979 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL15707669 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL23236461 | 0.74 | — | — | |
| SCHEMBL466168 | 0.74 | SLC18A2 (0.30) | — | |
| SCHEMBL11763557 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL10881986 | 0.64 | FOLH1 (0.34) | — | |
| SCHEMBL4655420 | 0.62 | FOLH1 (0.47) | — | |
| SCHEMBL669772 | 0.62 | FOLH1 (0.39) | — | |
| SCHEMBL28446891 | 0.62 | CA2 (0.35) | — | |
| SCHEMBL1715224 | 0.61 | LMNA (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-112449644-A | Use of heterocyclic amines containing primary or secondary amines as polymer catalysts or hardeners | 齐默尔根公司 | 2021-03-05 | — | — | CN | claimed |