⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2351897 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11807720 | 0.79 | — | — | |
| SCHEMBL20250954 | 0.78 | HTR1A (0.48) | — | |
| SCHEMBL10396554 | 0.78 | HTR1A (0.48) | — | |
| SCHEMBL10396090 | 0.78 | HTR1A (0.48) | — | |
| SCHEMBL12594050 | 0.76 | DNM1 (0.32) | — | |
| SCHEMBL3391323 | 0.73 | HTR1A (0.56) | — | |
| SCHEMBL6999896 | 0.71 | — | — | |
| SCHEMBL13817760 | 0.71 | HTR1A (0.42) | — | |
| SCHEMBL6446768 | 0.71 | — | — |
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-20090214101-A1 | Targeted Nanostructures for Cellular Imaging | WILLIAM MARSH RICE UNIVERSITY | 2009-08-27 | — | — | US | disclosed |
| WO-2007143558-A1 | TARGETED NANOSTRUCTURES FOR CELLULAR IMAGING | WILLIAM MARSH RICE UNIVERSITY (US) | 2007-12-13 | — | — | WO | disclosed |