⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9949606 | 0.79 | — | — | |
| SCHEMBL9426709 | 0.73 | — | — | |
| SCHEMBL27412887 | 0.71 | — | — | |
| SCHEMBL7297165 | 0.67 | — | — | |
| SCHEMBL570228 | 0.65 | — | — | |
| SCHEMBL9951015 | 0.65 | CES2 (0.30) | — | |
| SCHEMBL8899385 | 0.65 | — | — | |
| SCHEMBL5909 | 0.62 | — | — | |
| SCHEMBL11843414 | 0.62 | — | — | |
| SCHEMBL4324867 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7226991-B1 | inhibiting SH2 domain binding with a phosphoprotein; to inhibit proliferation of tumor cells; for inhibiting the growth of human breast cancer cells | UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2007-06-05 | — | — | US | claimed |