⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14298095 | 0.79 | — | — | |
| SCHEMBL12851540 | 0.70 | TOP2A (0.31) | — | |
| SCHEMBL13613085 | 0.70 | — | — | |
| Isobutane SCHEMBL526680 | 0.67 | — | — | |
| SCHEMBL841001 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL18960133 | 0.65 | — | — | |
| SCHEMBL13884888 | 0.65 | — | — | |
| Isobutane SCHEMBL5703421 | 0.65 | TOP2A (0.31) | — | |
| SCHEMBL19626639 | 0.62 | — | — | |
| SCHEMBL9346004 | 0.62 | TSHR (0.38) | — |
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-9642869-B2 | Boronic acid derivatives and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2017-05-09 | — | — | US | disclosed |
| US-20120077854-A1 | COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) | IRM LLC (BM) | 2012-03-29 | — | — | US | disclosed |