⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29612605 | 0.84 | — | — | |
| SCHEMBL28194228 | 0.79 | — | — | |
| SCHEMBL20927594 | 0.79 | PNMT (0.31) | — | |
| SCHEMBL9988107 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL30517280 | 0.75 | HTR2A (0.31) | — | |
| SCHEMBL9079161 | 0.72 | — | — | |
| SCHEMBL2804513 | 0.72 | — | — | |
| SCHEMBL19139805 | 0.71 | GNAI3 (0.34) | — | |
| SCHEMBL11975927 | 0.69 | — | — | |
| SCHEMBL18884695 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433167-A | Benzo-heterocyclic compound with Snail inhibitory activity, preparation method, pharmaceutical composition and medical application thereof | 中国药科大学 | 2022-12-06 | — | — | CN | claimed |
| WO-2024043158-A1 | DEVICE FOR PRODUCING CYCLIC AMINE AND METHOD FOR PRODUCING CYCLIC AMINE | 国立大学法人横浜国立大学 | 2024-02-29 | — | — | WO | disclosed |
| CN-116457347-A | Compound containing condensed rings, application thereof and composition containing compound | 健艾仕生物医药有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-115433167-A | Benzo-heterocyclic compound with Snail inhibitory activity, preparation method, pharmaceutical composition and medical application thereof | 中国药科大学 | 2022-12-06 | — | — | CN | disclosed |
| CN-114478482-A | Compound containing condensed ring, application thereof and composition containing compound | 健艾仕生物医药有限公司 | 2022-05-13 | — | — | CN | disclosed |
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |