⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60741 | 0.98 | — | — | |
| SCHEMBL27288630 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL31367891 | 0.95 | CES2 (0.62) | — | |
| SCHEMBL29126781 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4706810 | 0.95 | — | — | |
| SCHEMBL27776787 | 0.93 | CES2 (0.60) | — | |
| Oxalic Acid SCHEMBL6090643 | 0.91 | PTPN1 (0.63) | — | |
| Formic Acid SCHEMBL28853289 | 0.89 | CES2 (0.56) | — | |
| Sulfuric Acid SCHEMBL26108102 | 0.89 | CES2 (0.56) | — | |
| Acetic Acid SCHEMBL6883898 | 0.89 | PTGS1 (0.57) | — |
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-113614055-A | Polymer compositions with improved stability for nitrogen-fixing microbial products | 皮沃特生物股份有限公司 | 2021-11-05 | — | — | CN | disclosed |