⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73020 | 0.90 | — | — | |
| SCHEMBL8023790 | 0.90 | — | — | |
| SCHEMBL546596 | 0.88 | CTSL (0.30) | — | |
| SCHEMBL4149756 | 0.74 | — | — | |
| SCHEMBL4146680 | 0.73 | — | — | |
| SCHEMBL4150342 | 0.73 | SLC6A2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL29174829 | 0.72 | — | — | |
| SCHEMBL4672160 | 0.72 | MEN1 (0.30) | — | |
| SCHEMBL887736 | 0.70 | CTSL (0.32) | — | |
| SCHEMBL18697320 | 0.70 | CTSL (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0842137-A1 | A PROCESS FOR THE PREPARATION OF CYCLOPROPANE CARBOXYLIC ACIDS AND INTERMEDIATES THEREFOR | CHEMINOVA AGRO A/S (DK) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997003941-A1 | A PROCESS FOR THE PREPARATION OF CYCLOPROPANE CARBOXYLIC ACIDS AND INTERMEDIATES THEREFOR | CHEMINOVA AGRO A/S (DK) | 1997-02-06 | — | — | WO | disclosed |