⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3282185 | 0.80 | — | — | |
| Water SCHEMBL20657264 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL27806552 | 0.74 | — | — | |
| SCHEMBL27735133 | 0.72 | — | — | |
| Water SCHEMBL27578824 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL28070882 | 0.69 | — | — | |
| Isopropyl Alcohol SCHEMBL9580346 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL4598634 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL51292 | 0.67 | — | — | |
| SCHEMBL24700272 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107022403-A | The lube oil additive of boron molybdenum integration and its preparation and application | 江西福安路润滑材料有限公司 | 2017-08-08 | — | — | CN | claimed |
| CN-104844656-A | Non-sulfur and non-phosphorus organic molybdenum compound and preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2015-08-19 | — | — | CN | claimed |
| CN-107022403-A | The lube oil additive of boron molybdenum integration and its preparation and application | 江西福安路润滑材料有限公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-104844656-A | Non-sulfur and non-phosphorus organic molybdenum compound and preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2015-08-19 | — | — | CN | disclosed |