⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27552733 | 0.81 | — | — | |
| SCHEMBL27895895 | 0.77 | — | — | |
| SCHEMBL7586151 | 0.74 | — | — | |
| SCHEMBL28986458 | 0.74 | — | — | |
| SCHEMBL4402060 | 0.74 | — | — | |
| SCHEMBL28057778 | 0.73 | — | — | |
| SCHEMBL27693414 | 0.73 | — | — | |
| SCHEMBL2058706 | 0.72 | — | — | |
| SCHEMBL38655932 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL28395823 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116829660-A | Silicone emulsions and methods of making and using the same | 美国陶氏有机硅公司 | 2023-09-29 | — | — | CN | disclosed |