⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2917948 | 0.72 | — | — | |
| SCHEMBL23623231 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL18190996 | 0.69 | — | — | |
| SCHEMBL21985126 | 0.67 | — | — | |
| SCHEMBL18664102 | 0.67 | — | — | |
| SCHEMBL28965948 | 0.67 | — | — | |
| SCHEMBL12527420 | 0.67 | — | — | |
| SCHEMBL21226121 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6577632 | 0.65 | — | — | |
| SCHEMBL21968944 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3269715-B1 | SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |