⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28833480 | 0.83 | GAA (0.32) | — | |
| SCHEMBL7992591 | 0.74 | — | — | |
| SCHEMBL3293733 | 0.69 | — | — | |
| SCHEMBL2408107 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL7982196 | 0.66 | — | — | |
| SCHEMBL28863955 | 0.66 | — | — | |
| SCHEMBL6363021 | 0.65 | — | — | |
| SCHEMBL1345605 | 0.64 | DAO (0.35) | — | |
| SCHEMBL827504 | 0.63 | — | — | |
| SCHEMBL2880974 | 0.63 | ALDH1A1 (0.31) | — |
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-106660949-B | Chiral resolution method of N- [4- (1-aminoethyl) -phenyl ] -sulfamide derivative | 株式会社爱茉莉太平洋 | 2020-11-13 | — | — | CN | disclosed |
| WO-1997006676-A1 | MICROBICIDAL FORMULATIONS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-27 | — | — | WO | disclosed |
| WO-1996015107-A1 | DITHIOCARBAMATE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-05-23 | — | — | WO | disclosed |