⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193902 | 0.93 | — | — | |
| SCHEMBL27656406 | 0.78 | S1PR1 (0.43) | — | |
| Choline SCHEMBL2085789 | 0.78 | KMT2A (0.39) | — | |
| SCHEMBL158812 | 0.77 | — | — | |
| SCHEMBL1132942 | 0.77 | — | — | |
| SCHEMBL3265494 | 0.76 | S1PR1 (0.49) | — | |
| Ammonia Solution, Strong SCHEMBL1327720 | 0.75 | — | — | |
| SCHEMBL2806585 | 0.75 | — | — | |
| SCHEMBL23507856 | 0.74 | L3MBTL1 (0.37) | — | |
| SCHEMBL25019594 | 0.74 | KMT2A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102093871-B | Cross-linking acid cross-linking agent and preparation method thereof | PETROCHINA CO LTD | 2013-09-04 | — | — | CN | disclosed |
| CN-102093871-A | Cross-linking acid cross-linking agent and preparation method thereof | PETROCHINA CO LTD | 2011-06-15 | — | — | CN | disclosed |
| US-20020177559-A1 | Quinolone derivatives | WOCKHARDT LIMITED | 2002-11-28 | — | — | US | disclosed |