⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23961228 | 0.83 | RXRA (0.33) | — | |
| SCHEMBL137432 | 0.82 | RXRA (0.30) | — | |
| SCHEMBL1714555 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL10064649 | 0.81 | — | — | |
| SCHEMBL47326 | 0.72 | RXRA (0.37) | — | |
| SCHEMBL29869219 | 0.72 | RXRA (0.37) | — | |
| SCHEMBL224968 | 0.71 | RXRA (0.36) | — | |
| SCHEMBL2721236 | 0.71 | RXRA (0.36) | — | |
| Potassium SCHEMBL559580 | 0.71 | RXRA (0.36) | — | |
| SCHEMBL7129477 | 0.70 | KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9920365-B2 | Functionalized cyanine dyes (PEG) | PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) | 2018-03-20 | — | — | US | disclosed |