⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL898055 | 0.69 | SUCNR1 (0.40) | — | |
| SCHEMBL11883934 | 0.67 | SUCNR1 (0.38) | — | |
| SCHEMBL11829608 | 0.65 | — | — | |
| SCHEMBL2783010 | 0.60 | — | — | |
| SCHEMBL8401686 | 0.58 | — | — | |
| SCHEMBL8094583 | 0.57 | CYP2C19 (0.33) | — | |
| SCHEMBL10634210 | 0.55 | — | — | |
| SCHEMBL2363060 | 0.53 | — | — | |
| SCHEMBL11816743 | 0.53 | TSHR (0.35) | — | |
| SCHEMBL5499749 | 0.51 | SUCNR1 (0.92) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4443619-A | MULTISTEP PREPARATION OF MONOPOTASSIUM DIHYDROGEN THREO-EPOXYACONITATE FROM TRANSACONITIC ACID | HOFFMANN-LA ROCHE INC. (US) | 1984-04-17 | — | — | US | disclosed |
| US-4365070-A | B-LACTONE INTERMEDIATES THEREOF, ANORECTIC AGENTS FOR TREATMENT OBESITY | HOFFMANN-LA ROCHE INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4354039-A | Chlorocitric acids | HOFFMANN-LA ROCHE INC. (US) | 1982-10-12 | — | — | US | disclosed |
| US-4352758-A | FROM TRANS-ACONITIC ACID | HOFFMANN-LA ROCHE INC. (US) | 1982-10-05 | — | — | US | disclosed |
| US-4340754-A | Process for making chlorocitric acid | HOFFMANN-LA ROCHE INC. (US) | 1982-07-20 | — | — | US | disclosed |
| US-4312885-A | ANORECTIC AGENTS FOR TREATMENT OF OBESITY | HOFFMANN-LA ROCHE INC. (US) | 1982-01-26 | — | — | US | disclosed |