⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1820973 | 0.74 | DNTT (0.34) | — | |
| SCHEMBL28422694 | 0.70 | — | — | |
| SCHEMBL28228071 | 0.62 | KMT2A (0.31) | — | |
| SCHEMBL2761099 | 0.58 | BRD4 (0.39) | — | |
| SCHEMBL17322451 | 0.54 | ALDH1A1 (0.40) | — | |
| SCHEMBL11465555 | 0.53 | POLA1 (0.31) | — | |
| SCHEMBL27566884 | 0.53 | — | — | |
| SCHEMBL12532986 | 0.53 | — | — | |
| SCHEMBL28806717 | 0.53 | MMP2 (0.30) | — | |
| SCHEMBL11788035 | 0.53 | CYP2C19 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1660591-A1 | CYANOBORATE, FLUOROALKYL PHOSPHATE, FLUOROALKYL BORATE OR IMIDE DYES | MERCK PATENT GmbH (DE) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005021661-A1 | CYANOBORATE, FLUOROALKYL PHOSPHATE, FLUOROALKYL BORATE OR IMIDE DYES | MERCK PATENT GMBH (DE) | 2005-03-10 | — | — | WO | disclosed |