⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27874671 | 0.77 | — | — | |
| SCHEMBL28182314 | 0.77 | — | — | |
| SCHEMBL28523363 | 0.76 | SLC6A3 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28454021 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28583736 | 0.75 | — | — | |
| Bromide SCHEMBL28977640 | 0.75 | — | — | |
| Lactic Acid SCHEMBL28669233 | 0.74 | TP53 (0.38) | — | |
| SCHEMBL28052066 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL27858134 | 0.73 | — | — | |
| Bromide SCHEMBL30451480 | 0.72 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115785588-A | Permanent static dissipative PVC (polyvinyl chloride) sole material and preparation method thereof | 深圳市好亚通防护用品有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-108864364-B | Preparation method of L-phenylalanine molecularly imprinted polymer | 西京学院 | 2021-02-02 | — | — | CN | disclosed |