⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7199248 | 0.71 | — | — | |
| Nitrosoguanidine SCHEMBL96467 | 0.69 | — | — | |
| SCHEMBL456591 | 0.69 | — | — | |
| SCHEMBL5974983 | 0.69 | — | — | |
| SCHEMBL5974985 | 0.69 | — | — | |
| SCHEMBL468403 | 0.67 | — | — | |
| SCHEMBL19456498 | 0.67 | — | — | |
| SCHEMBL17571045 | 0.67 | — | — | |
| SCHEMBL18661336 | 0.67 | — | — | |
| SCHEMBL14340379 | 0.64 | — | — |
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-20130274229-A1 | ENHANCED ANTI-INFLUENZA AGENTS CONJUGATED WITH ANTI-INFLAMMATORY ACTIVITY | ACADEMIA SINICA (TW) | 2013-10-17 | — | — | US | disclosed |
| WO-2007033175-A1 | INDOLOBENZAZEPINE HCV NS5B INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-03-22 | — | — | WO | disclosed |