⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6532776 | 0.84 | FBP1 (0.54) | — | |
| SCHEMBL3070412 | 0.80 | — | — | |
| SCHEMBL6206487 | 0.80 | — | — | |
| SCHEMBL28983778 | 0.79 | HPGDS (0.48) | — | |
| SCHEMBL11327639 | 0.78 | FBP1 (0.48) | — | |
| Potassium Ion SCHEMBL11192203 | 0.78 | FBP1 (0.48) | — | |
| SCHEMBL11181263 | 0.78 | FBP1 (0.48) | — | |
| SCHEMBL27632300 | 0.75 | FBP1 (0.45) | — | |
| SCHEMBL10709338 | 0.74 | FBP1 (0.43) | — | |
| SCHEMBL4339783 | 0.72 | FBP1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019193068-A1 | A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2019-10-10 | — | — | WO | disclosed |
| EP-3549927-A1 | A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS | Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) | 2019-10-09 | — | — | EP | disclosed |
| US-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |