⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL582793 | 0.68 | — | — | |
| SCHEMBL21358015 | 0.66 | — | — | |
| SCHEMBL16568878 | 0.62 | KDM4E (0.39) | — | |
| SCHEMBL2905105 | 0.62 | — | — | |
| SCHEMBL184122 | 0.62 | CYP2A6 (0.30) | — | |
| SCHEMBL2026140 | 0.61 | KDM4E (0.61) | — | |
| SCHEMBL8797058 | 0.60 | — | — | |
| SCHEMBL5908051 | 0.58 | — | — | |
| SCHEMBL16565 | 0.57 | ALDH1A1 (0.44) | — | |
| SCHEMBL3566 | 0.56 | — | — |
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-1503761-A1 | SUBSTITUTED PIPERAZINES AS MELANOCORTIN RECEPTOR LIGANDS | Neurocrine Biosciences, Inc. (US) | 2005-02-09 | — | — | EP | disclosed |
| US-20040053933-A1 | Ligands of melanocortin receptors and compositions and methods related thereto | NEUROCRINE BIOSCIENCES, INC. | 2004-03-18 | — | — | US | disclosed |
| WO-2003094918-A1 | SUBSTITUTED PIPERAZINE AS MELANOCORTIN RECEPTORS LIGANDS | NEUROCRINE BIOSCIENCES, INC. (US) | 2003-11-20 | — | — | WO | disclosed |