⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL778460 | 0.83 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL17423456 | 0.78 | PIK3CD (0.33) | — | |
| SCHEMBL9856960 | 0.74 | KAT2B (0.36) | — | |
| SCHEMBL72854 | 0.73 | PIK3CD (0.33) | — | |
| SCHEMBL9779882 | 0.72 | — | — | |
| SCHEMBL3594032 | 0.72 | POLB (0.35) | — | |
| SCHEMBL74560 | 0.70 | TP53 (0.47) | — | |
| SCHEMBL28778401 | 0.69 | CES2 (0.44) | — | |
| SCHEMBL25405178 | 0.68 | HCAR2 (0.40) | — | |
| SCHEMBL16503 | 0.68 | HCAR2 (0.40) | — |
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-106119113-A | For producing the biology of 1,3 butanediols | 基因组股份公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-102625846-B | Organisms for the production of 1, 3-butanediol | 基因组股份公司 | 2016-08-03 | — | — | CN | disclosed |