⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL16792629 | 0.86 | — | — | |
| Acetic Acid SCHEMBL29210800 | 0.86 | PAOX (0.39) | — | |
| Acetic Acid SCHEMBL7118916 | 0.86 | PAOX (0.39) | — | |
| SCHEMBL164408 | 0.84 | — | — | |
| SCHEMBL1399509 | 0.83 | TDP1 (0.55) | — | |
| SCHEMBL6379240 | 0.81 | — | — | |
| Succinic Acid SCHEMBL5035175 | 0.81 | LMNA (0.46) | — | |
| Propionic Acid SCHEMBL7115839 | 0.81 | FFAR3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL3318108 | 0.81 | — | — | |
| SCHEMBL17473972 | 0.81 | — | — |
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-104988139-B | The method for cultivating the cotton of resisting verticillium | 中国科学院微生物研究所 | 2018-02-06 | — | — | CN | disclosed |