⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18857245 | 0.87 | APP (0.36) | — | |
| SCHEMBL24926664 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL25568917 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL24926243 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL24234525 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL21791916 | 0.73 | — | — | |
| SCHEMBL22249892 | 0.73 | — | — | |
| SCHEMBL24127078 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL27024927 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL15499726 | 0.70 | LOXL2 (0.36) | — |
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-20170231986-A1 | Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor | ACERTA PHARMA B.V. (NL) | 2017-08-17 | — | — | US | disclosed |