⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1726899 | 0.78 | — | — | |
| SCHEMBL27847630 | 0.75 | MAPT (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL4593126 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL9987191 | 0.73 | ALDH1A1 (0.41) | — | |
| Sulfuric Acid SCHEMBL28651693 | 0.71 | CA5A (0.40) | — | |
| Benzene SCHEMBL9706847 | 0.71 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL28807481 | 0.69 | — | — | |
| SCHEMBL8976233 | 0.69 | — | — | |
| SCHEMBL1727841 | 0.69 | TP53 (0.36) | — | |
| Sulfuric Acid SCHEMBL22579019 | 0.68 | CA5A (0.55) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113337775-A | High-nitrogen silicon vanadium iron alloy and production method thereof | 河北诺凡新材料科技有限公司 | 2021-09-03 | — | — | CN | claimed |
| CN-109971534-A | A kind of lubricating oil | 界首永恩机电科技有限公司 | 2019-07-05 | — | — | CN | claimed |
| CN-109971530-A | A kind of antioxidant preservative for lubricating oil | 界首永恩机电科技有限公司 | 2019-07-05 | — | — | CN | claimed |
| CN-113337775-A | High-nitrogen silicon vanadium iron alloy and production method thereof | 河北诺凡新材料科技有限公司 | 2021-09-03 | — | — | CN | disclosed |
| CN-109971534-A | A kind of lubricating oil | 界首永恩机电科技有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109971530-A | A kind of antioxidant preservative for lubricating oil | 界首永恩机电科技有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109971530-A | A kind of antioxidant preservative for lubricating oil | 界首永恩机电科技有限公司 | 2019-07-05 | — | — | CN | disclosed |