⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14878302 | 0.88 | — | — | |
| SCHEMBL11594961 | 0.79 | NPSR1 (0.41) | — | |
| SCHEMBL9660089 | 0.79 | HPGD (0.42) | — | |
| SCHEMBL13891868 | 0.77 | THRA (0.33) | — | |
| SCHEMBL12828404 | 0.77 | KMT2A (0.41) | — | |
| SCHEMBL14436877 | 0.74 | GSR (0.40) | — | |
| SCHEMBL1057171 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL6907314 | 0.74 | — | — | |
| SCHEMBL16270730 | 0.72 | — | — | |
| SCHEMBL62022 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140367277-A1 | ELECTROCHEMICAL SENSORS | SCHLUMBERGER TECHNOLOGY CORPORATION | 2014-12-18 | — | — | US | disclosed |
| US-8426462-B2 | Ferrocene derivatives with anticancer activity | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2013-04-23 | — | — | US | disclosed |
| US-20110190391-A1 | FERROCENE DERIVATIVES WITH ANTICANCER ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2011-08-04 | — | — | US | disclosed |