⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7111729 | 0.95 | — | — | |
| SCHEMBL9852 | 0.95 | — | — | |
| Water SCHEMBL525261 | 0.91 | — | — | |
| SCHEMBL2508332 | 0.91 | — | — | |
| SCHEMBL28048889 | 0.91 | — | — | |
| Bromide SCHEMBL28366174 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL12492362 | 0.91 | — | — | |
| SCHEMBL28100274 | 0.91 | — | — | |
| SCHEMBL18759839 | 0.91 | — | — | |
| Fluoride SCHEMBL28237477 | 0.91 | — | — |
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-107921145-A | The antibody drug conjugate of KSP inhibitor and anti-TWEAKR antibody（ADC） | 拜耳医药股份有限公司 | 2018-04-17 | — | — | CN | disclosed |