⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4086396 | 0.89 | — | — | |
| SCHEMBL1095526 | 0.88 | FTO (0.37) | — | |
| SCHEMBL1095319 | 0.78 | — | — | |
| SCHEMBL4080393 | 0.77 | KDM4E (0.41) | — | |
| SCHEMBL1095520 | 0.74 | FTO (0.43) | — | |
| SCHEMBL9915064 | 0.74 | FTO (0.43) | — | |
| SCHEMBL3626595 | 0.74 | FTO (0.43) | — | |
| Hydrochloric Acid SCHEMBL12492233 | 0.74 | FTO (0.42) | — | |
| SCHEMBL21307992 | 0.74 | KDM4E (0.38) | — | |
| Hydrochloric Acid SCHEMBL9638604 | 0.74 | FTO (0.42) | — |
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-8153827-B2 | Reagents for biomolecular labeling, detection and quantification employing Raman spectroscopy | PURDUE RESEARCH FOUNDATION (US) | 2012-04-10 | — | — | US | disclosed |
| US-20090219526-A1 | REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-09-03 | — | — | US | disclosed |