⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4856326 | 0.98 | — | — | |
| SCHEMBL6399350 | 0.77 | CES2 (0.32) | — | |
| SCHEMBL28967581 | 0.75 | — | — | |
| SCHEMBL28334716 | 0.72 | CES2 (0.39) | — | |
| SCHEMBL27494592 | 0.67 | TAS1R3 (0.35) | — | |
| SCHEMBL31021572 | 0.67 | ESR1 (0.37) | — | |
| SCHEMBL31021583 | 0.67 | ESR1 (0.34) | — | |
| SCHEMBL27843324 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL3135197 | 0.65 | — | — | |
| SCHEMBL27493982 | 0.65 | CES2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105000963-A | Special foliar fertilizer for carrot | WANG QIXIANG | 2015-10-28 | — | — | CN | claimed |
| CN-105000963-A | Special foliar fertilizer for carrot | WANG QIXIANG | 2015-10-28 | — | — | CN | disclosed |