⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18709684 | 0.77 | — | — | |
| SCHEMBL14727512 | 0.72 | — | — | |
| SCHEMBL2450923 | 0.72 | HTR2A (0.40) | — | |
| SCHEMBL18671039 | 0.70 | — | — | |
| SCHEMBL20921868 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL2470715 | 0.69 | — | — | |
| SCHEMBL18636564 | 0.67 | — | — | |
| SCHEMBL14904437 | 0.67 | — | — | |
| SCHEMBL3418516 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28152794 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011145102-A1 | A PROCESS FOR THE PREPARATION OF N-METHYL-O-ARYLOXY-PROPANAMINE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ARCH PHARMALABS LIMITED (IN) | 2011-11-24 | — | — | WO | disclosed |
| WO-2010010412-A2 | METHOD FOR THE PREPARATION OF N-METHYL-ARYLOXY-PROPANAMINE DERIVATIVES | LUKÁCS, Gyula (HU) | 2010-01-28 | — | — | WO | disclosed |