⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9112599 | 0.98 | CHRM2 (0.44) | — | |
| SCHEMBL19371009 | 0.80 | — | — | |
| SCHEMBL12162376 | 0.80 | — | — | |
| SCHEMBL2450383 | 0.77 | — | — | |
| SCHEMBL21406418 | 0.74 | CHRM2 (0.42) | — | |
| SCHEMBL21406517 | 0.74 | CHRM2 (0.42) | — | |
| SCHEMBL21406424 | 0.74 | CHRM2 (0.42) | — | |
| SCHEMBL147416 | 0.73 | — | — | |
| SCHEMBL15490184 | 0.72 | CHRM2 (0.41) | — | |
| SCHEMBL16040125 | 0.72 | CHRM2 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106167697-A | A kind of oil-gas field fracturing helps row compositions, fracturing extraction assistant and preparation method thereof | 中国石油化工股份有限公司 | 2016-11-30 | — | — | CN | disclosed |