⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1997967 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28231773 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL6273895 | 0.68 | PIM1 (0.41) | — | |
| SCHEMBL21023371 | 0.66 | — | — | |
| SCHEMBL20287813 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL25382086 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL25437123 | 0.64 | — | — | |
| SCHEMBL929848 | 0.64 | PIM1 (0.51) | — | |
| SCHEMBL2898099 | 0.64 | — | — | |
| SCHEMBL169902 | 0.63 | TGM2 (0.48) | — |
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-108026082-A | Substituted heteroaryl carboxylic acid hydrazides or salts thereof and their use for increasing stress tolerance in plants | 拜耳农作物科学股份公司 | 2018-05-11 | — | — | CN | disclosed |