⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21465959 | 0.92 | CYP4F2 (0.33) | — | |
| SCHEMBL27976022 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL13864571 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL23793756 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3158050 | 0.78 | — | — | |
| SCHEMBL14129059 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL13864594 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL13864603 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL13078128 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL24112041 | 0.76 | CYP4F2 (0.32) | — |
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-103958508-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | ABBVIE INC | 2014-07-30 | — | — | CN | disclosed |