⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12901156 | 0.73 | — | — | |
| SCHEMBL12901155 | 0.60 | ESR1 (0.32) | — | |
| SCHEMBL12901133 | 0.60 | CHAT (0.47) | — | |
| SCHEMBL2057383 | 0.59 | TDP1 (0.32) | — | |
| SCHEMBL7473284 | 0.58 | GPR3 (0.44) | — | |
| SCHEMBL7473289 | 0.58 | GPR3 (0.44) | — | |
| SCHEMBL12901032 | 0.58 | CHAT (0.41) | — | |
| SCHEMBL7467947 | 0.57 | GPR3 (0.50) | — | |
| SCHEMBL12901055 | 0.57 | APP (0.30) | — | |
| SCHEMBL12901145 | 0.57 | GPR3 (0.36) | — |
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-8835632-B2 | Methods to increase the photostability of dyes | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2014-09-16 | — | — | US | disclosed |
| US-20110046000-A1 | METHODS TO INCREASE THE PHOTOSTABILITY OF DYES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-02-24 | — | — | US | disclosed |