⚠ 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL11787886 | 0.82 | ADH1B (0.32) | — | |
| Cyclopropane SCHEMBL11789277 | 0.82 | — | — | |
| Cyclooctane SCHEMBL11798106 | 0.82 | ADH1B (0.32) | — | |
| SCHEMBL9293 | 0.79 | — | — | |
| SCHEMBL30154499 | 0.79 | TDP1 (0.30) | — | |
| SCHEMBL14637528 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27782155 | 0.76 | — | — | |
| SCHEMBL27029794 | 0.76 | — | — | |
| SCHEMBL29119755 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28600190 | 0.76 | — | — |
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-111778229-B | Cyclohexene carboxylate hydrolase, mutant thereof, encoding gene, expression vector, recombinant bacterium and application | 江南大学 | 2022-02-22 | — | — | CN | disclosed |
| CN-111778229-A | Cyclohexene carboxylate hydrolase, mutant thereof, encoding gene, expression vector, recombinant bacterium and application | 江南大学 | 2020-10-16 | — | — | CN | disclosed |