⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446279 | 0.79 | — | — | |
| SCHEMBL344278 | 0.79 | — | — | |
| SCHEMBL575120 | 0.77 | — | — | |
| SCHEMBL7963081 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL7963202 | 0.77 | — | — | |
| SCHEMBL575181 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL444270 | 0.76 | ATM (0.54) | — | |
| SCHEMBL26923746 | 0.76 | ATM (0.34) | — | |
| SCHEMBL11530469 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL6895706 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0200692-B1 | ANDROSTANE-17-BETA-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUND CONTAINING THEM | Aktiebolaget Draco (SE) | 1991-09-11 | — | — | EP | disclosed |
| US-4804656-A | ANTIINFLAMMATORY AGENTS | AKTIEBOLAGET DRACO (SE) | 1989-02-14 | — | — | US | disclosed |
| EP-0200692-A1 | Androstane-17-beta-carboxylic-acid esters, process for their preparation and pharmaceutical compound containing them | Aktiebolaget Draco (SE) | 1986-11-05 | — | — | EP | disclosed |