⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7280355 | 0.74 | — | — | |
| SCHEMBL18666999 | 0.74 | BRD4 (0.31) | — | |
| SCHEMBL23736447 | 0.73 | — | — | |
| SCHEMBL10516967 | 0.70 | — | — | |
| SCHEMBL20683211 | 0.70 | MEN1 (0.32) | — | |
| SCHEMBL24083607 | 0.68 | BRD4 (0.31) | — | |
| SCHEMBL18137150 | 0.66 | — | — | |
| SCHEMBL9800257 | 0.62 | KMT2A (0.34) | — | |
| SCHEMBL13185492 | 0.62 | — | — | |
| SCHEMBL12567851 | 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-20100167417-A1 | LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES | BECTON, DICKINSON AND COMPANY (US) | 2010-07-01 | — | — | US | disclosed |