⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15641070 | 0.90 | PTPN7 (0.47) | — | |
| SCHEMBL26417925 | 0.77 | FASN (0.46) | — | |
| SCHEMBL3456364 | 0.76 | — | — | |
| SCHEMBL5167349 | 0.76 | — | — | |
| SCHEMBL17743906 | 0.74 | — | — | |
| SCHEMBL11546173 | 0.74 | — | — | |
| SCHEMBL10964073 | 0.74 | — | — | |
| SCHEMBL27973035 | 0.74 | — | — | |
| SCHEMBL55033 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL5167361 | 0.72 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| EP-2118206-A2 | POLYCYCLO DYES AND USE THEREOF | Visen Medical, Inc. (US) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008100817-A2 | POLYCYCLO DYES AND USE THEREOF | VISEN MEDICAL, INC. (US) | 2008-08-21 | — | — | WO | disclosed |