⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9304809 | 0.93 | — | — | |
| SCHEMBL11571576 | 0.84 | — | — | |
| SCHEMBL537510 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL28895440 | 0.73 | — | — | |
| SCHEMBL706254 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL16497599 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL3481474 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL3481448 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL415769 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL3481794 | 0.70 | LMNA (0.30) | — |
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-115155113-B | Structure for organic silicon defoamer and synthesis method thereof | 佛山市南海大田化学有限公司 | 2023-09-29 | — | — | CN | claimed |