⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16328978 | 0.99 | — | — | |
| SCHEMBL5597403 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL1501122 | 0.88 | ALDH1A1 (0.39) | — | |
| SCHEMBL9152252 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL13073086 | 0.84 | MCL1 (0.32) | — | |
| SCHEMBL15617968 | 0.84 | — | — | |
| SCHEMBL2231232 | 0.83 | DGKA (0.35) | — | |
| SCHEMBL15715816 | 0.82 | — | — | |
| SCHEMBL14563212 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL14570439 | 0.82 | DGKA (0.40) | — |
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-8492158-B2 | Electrochemical labels derived from siderophores | APPLIED BIOSYSTEMS, LLC (US) | 2013-07-23 | — | — | US | disclosed |
| US-20090246763-A1 | ELECTROCHEMICAL LABELS DERIVED FROM SIDEROPHORES | APPLERA CORPORATION, APPLIED BIOSYSTEMS GROUP (US) | 2009-10-01 | — | — | US | disclosed |