⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17601001 | 0.80 | LOXL2 (0.41) | — | |
| SCHEMBL501903 | 0.79 | — | — | |
| SCHEMBL15577831 | 0.77 | — | — | |
| SCHEMBL715269 | 0.77 | — | — | |
| SCHEMBL4596202 | 0.77 | — | — | |
| SCHEMBL445949 | 0.77 | — | — | |
| SCHEMBL17820575 | 0.77 | — | — | |
| SCHEMBL14424238 | 0.74 | SORD (0.31) | — | |
| SCHEMBL2018150 | 0.74 | RECQL (0.35) | — | |
| SCHEMBL4263566 | 0.74 | HRH1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349859-B2 | Pyrimidine derivatives | HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) | 2013-01-08 | — | — | US | disclosed |
| US-7282504-B2 | Kinase inhibitors | AMGEN INC. (US) | 2007-10-16 | — | — | US | disclosed |