⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3538561 | 0.73 | CYP19A1 (0.32) | — | |
| SCHEMBL3643910 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL3539973 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL15694038 | 0.67 | — | — | |
| SCHEMBL4155048 | 0.67 | — | — | |
| SCHEMBL10276825 | 0.66 | CYP19A1 (0.31) | — | |
| SCHEMBL3542521 | 0.65 | HSD11B1 (0.31) | — | |
| SCHEMBL7290529 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL4856995 | 0.63 | — | — | |
| SCHEMBL38652270 | 0.62 | SMN1; SMN2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7727979-B2 | Guanidine derivatives and their use as neuropeptide FF receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-06-01 | — | — | US | disclosed |
| US-20060194788-A1 | Guanidine derivatives and their use as neuropeptide ff receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2006-08-31 | — | — | US | disclosed |