⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14110835 | 0.78 | — | — | |
| SCHEMBL8931034 | 0.78 | — | — | |
| SCHEMBL8935989 | 0.78 | — | — | |
| SCHEMBL7207678 | 0.78 | — | — | |
| SCHEMBL16401454 | 0.76 | NPC1 (0.39) | — | |
| SCHEMBL10245233 | 0.75 | — | — | |
| SCHEMBL1264448 | 0.75 | — | — | |
| SCHEMBL10010450 | 0.74 | — | — | |
| SCHEMBL10527889 | 0.74 | NPC1 (0.45) | — | |
| SCHEMBL16447016 | 0.73 | EGLN1 (0.38) | — |
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-104693143-B | A kind of catalysis method of asymmetric synthesis of chirality propargyl amines | 中国科学院大连化学物理研究所 | 2016-10-05 | — | — | CN | disclosed |
| CN-104693143-A | Catalytic asymmetric synthesis method of chiral propargyl amine compounds | DALIAN CHEMICAL PHYSICS INST | 2015-06-10 | — | — | CN | disclosed |