⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7040266 | 0.78 | NPSR1 (0.35) | — | |
| SCHEMBL27676342 | 0.63 | — | — | |
| SCHEMBL461271 | 0.58 | — | — | |
| Hydrogen Sulfide SCHEMBL28157136 | 0.56 | L3MBTL1 (0.56) | — | |
| SCHEMBL1663553 | 0.56 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL2212203 | 0.56 | L3MBTL1 (0.39) | — | |
| SCHEMBL9100528 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL8418372 | 0.54 | TSHR (0.35) | — | |
| SCHEMBL16442455 | 0.54 | TSHR (0.42) | — | |
| SCHEMBL69773 | 0.51 | NOTUM (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6150301-A | Chemical abscission of fruits at low application rates | WILCOX MERRILL (US) | 2000-11-21 | — | — | US | claimed |
| WO-1997040681-A1 | CHEMICAL ABSCISSION OF FRUITS AT LOW APPLICATION RATES | WILCOX MERRILL (US) | 1997-11-06 | — | — | WO | claimed |
| WO-1997040681-A1 | CHEMICAL ABSCISSION OF FRUITS AT LOW APPLICATION RATES | WILCOX MERRILL (US) | 1997-11-06 | — | — | WO | disclosed |