⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5467078 | 0.83 | ALDH1A1 (0.41) | — | |
| SCHEMBL10435086 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL17460080 | 0.76 | — | — | |
| SCHEMBL1703293 | 0.74 | — | — | |
| SCHEMBL5356077 | 0.74 | — | — | |
| SCHEMBL8313187 | 0.74 | — | — | |
| SCHEMBL28010279 | 0.72 | — | — | |
| Nitric Acid SCHEMBL5969602 | 0.72 | CA5A (0.40) | — | |
| SCHEMBL28246541 | 0.72 | — | — | |
| SCHEMBL19916771 | 0.71 | — | — |
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-104745556-B | One kind restructuring halide alcohol dehalogenase, mutant, engineering bacteria and its application | 浙江工业大学 | 2017-09-22 | — | — | CN | disclosed |
| CN-104745556-A | Recombinant halohydrin dehalogenase, and mutant and engineering strain and applications thereof | UNIV ZHEJIANG TECHNOLOGY | 2015-07-01 | — | — | CN | disclosed |