⚠ 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 | |
|---|---|---|---|---|
| Butanal SCHEMBL28848857 | 0.85 | ALDH1A1 (0.48) | — | |
| Hydrochlorthiazide SCHEMBL15656550 | 0.83 | — | — | |
| Diethylamine SCHEMBL27851538 | 0.79 | TP53 (0.31) | — | |
| Hydrochlorthiazide SCHEMBL25276489 | 0.78 | — | — | |
| Hydrochlorthiazide SCHEMBL5560288 | 0.78 | — | — | |
| Hydrochlorthiazide SCHEMBL289703 | 0.78 | — | — | |
| Hydrochlorthiazide SCHEMBL28762291 | 0.77 | — | — | |
| Hydrochlorthiazide SCHEMBL9244935 | 0.77 | — | — | |
| Hydrochlorthiazide SCHEMBL28060281 | 0.77 | — | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106234389-B | A kind of composition pesticide of fluorine-containing thiazole pyrrole ethyl ketone and jamaicin | 陈军明 | 2018-10-12 | — | — | CN | claimed |
| CN-114591991-A | Method for preparing calcipotriol key chiral intermediate based on short-chain carbonyl reductase | 西南交通大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-107810268-A | Method for inducing oligodendrocyte precursor cells from human cells introduced with Oct4 by direct reprogramming | 思特科技公司 | 2018-03-16 | — | — | CN | disclosed |