⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4287342 | 1.00 | — | — | |
| Phosphoric Acid SCHEMBL28554621 | 0.90 | CYP2C9 (0.43) | — | |
| SCHEMBL3395036 | 0.83 | CYP2C9 (0.58) | — | |
| SCHEMBL12189710 | 0.83 | CYP2C9 (0.58) | — | |
| SCHEMBL3391957 | 0.83 | CYP2C9 (0.58) | — | |
| SCHEMBL3390693 | 0.83 | CYP2C9 (0.58) | — | |
| SCHEMBL4733654 | 0.83 | CYP2C9 (0.58) | — | |
| SCHEMBL3094197 | 0.83 | CYP2C9 (0.58) | — | |
| SCHEMBL3392724 | 0.83 | CYP2C9 (0.58) | — | |
| SCHEMBL5958021 | 0.83 | CYP2C9 (0.58) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109234216-B | Genetically engineered bacterium for producing squalene and method thereof | 上海医药工业研究院 | 2022-05-20 | — | — | CN | claimed |
| CN-109234216-B | Genetically engineered bacterium for producing squalene and method thereof | 上海医药工业研究院 | 2022-05-20 | — | — | CN | disclosed |
| CN-109234216-B | Genetically engineered bacterium for producing squalene and method thereof | 上海医药工业研究院 | 2022-05-20 | — | — | CN | disclosed |
| CN-113337589-A | Method for screening genes related to synthesis of target compound and application | 华南理工大学 | 2021-09-03 | — | — | CN | disclosed |
| EP-1664305-B1 | SELECTION SYSTEM CONTAINING NON-ANTIBIOTIC RESISTANCE SELECTION MARKER | FIT BIOTECH OY (FI) | 2014-11-05 | — | — | EP | disclosed |