⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29006316 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL560538 | 0.77 | — | — | |
| SCHEMBL7115619 | 0.74 | — | — | |
| SCHEMBL20604067 | 0.74 | — | — | |
| SCHEMBL625990 | 0.74 | — | — | |
| SCHEMBL1867409 | 0.73 | — | — | |
| SCHEMBL11766105 | 0.72 | — | — | |
| SCHEMBL27654629 | 0.72 | — | — | |
| SCHEMBL15535194 | 0.72 | — | — | |
| SCHEMBL1026658 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114364773-A | Aromatic oil mixture | 西姆莱斯股份公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-114126579-A | Mixture of beeswax and lactoyl lactate | 西姆莱斯股份公司 | 2022-03-01 | — | — | CN | disclosed |
| CN-113993500-A | Cool preparation | 德国德之馨香精香料公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-113891750-A | Method for improving performance of spice or spice mixture | 西姆莱斯股份公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-113766911-A | Plant peptides and uses thereof (II) | 西姆莱斯股份公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-113710331-A | Antimicrobial mixture | 西姆莱斯股份公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-113543637-A | Antimicrobial mixture | 西姆莱斯股份公司 | 2021-10-22 | — | — | CN | disclosed |
| CN-113226267-A | Hair care composition | 西姆莱斯股份公司 | 2021-08-06 | — | — | CN | disclosed |
| CN-113164792-A | Liquid transparent mixtures of UV filters | 西姆莱斯股份公司 | 2021-07-23 | — | — | CN | disclosed |