⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL9151609 | 1.00 | — | — | |
| Cyclopropane SCHEMBL582029 | 1.00 | — | — | |
| Cyclohexane SCHEMBL3212439 | 0.77 | TSHR (0.57) | — | |
| Cyclohexane SCHEMBL21694131 | 0.77 | TSHR (0.30) | — | |
| Cyclopentane SCHEMBL4362717 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL23668123 | 0.77 | — | — | |
| Ethane SCHEMBL9395318 | 0.73 | — | — | |
| Cyclopentane SCHEMBL12475482 | 0.73 | — | — | |
| Cyclohexane SCHEMBL12475590 | 0.73 | — | — | |
| Cyclooctane SCHEMBL8564806 | 0.73 | — | — |
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-105916832-B | Cockroach assembles inducing substance, cockroach aggregation attractant and cockroach expellent | 国立大学法人京都大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-105916832-A | Cockroach-aggregating attracting substance, cockroach-aggregating attractant, and cockroach exterminating agent | 国立大学法人京都大学 | 2016-08-31 | — | — | CN | disclosed |