⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1978763 | 0.80 | CYP19A1 (0.31) | — | |
| SCHEMBL797512 | 0.79 | SPHK1 (0.38) | — | |
| SCHEMBL8372323 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL152342 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL1010915 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL153537 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL1011862 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL649223 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL5898950 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL155171 | 0.77 | SPHK1 (0.33) | — |
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-109963888-A | It is used to prepare the method for being suitable for bull or double end composition that chain shuttle moves | 陶氏环球技术有限责任公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-109952324-A | The sealing end bull or double end composition that are moved suitable for chain shuttle and preparation method | 陶氏环球技术有限责任公司 | 2019-06-28 | — | — | CN | disclosed |