⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28246976 | 0.83 | — | — | |
| SCHEMBL6694889 | 0.71 | CA1 (0.35) | — | |
| SCHEMBL5597693 | 0.60 | CA12 (0.32) | — | |
| SCHEMBL34460358 | 0.59 | — | — | |
| SCHEMBL7754765 | 0.58 | — | — | |
| SCHEMBL27457813 | 0.58 | ALDH1A1 (0.44) | — | |
| SCHEMBL16454 | 0.58 | — | — | |
| SCHEMBL6692094 | 0.56 | NPC1 (0.39) | — | |
| Benzene SCHEMBL3120365 | 0.56 | CYP3A4 (0.37) | — | |
| SCHEMBL1571702 | 0.56 | — | — |
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-102741267-B | Polyunsaturated fatty acid synthase nucleic acid molecules and polypeptides, compositions, methods of making, and uses thereof | 帝斯曼知识产权资产有限公司 | 2020-06-23 | — | — | CN | disclosed |