⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6759368 | 0.79 | — | — | |
| SCHEMBL1354182 | 0.75 | ESR1 (0.35) | — | |
| SCHEMBL6757095 | 0.62 | KIF11 (0.34) | — | |
| SCHEMBL6760704 | 0.62 | CHRM3 (0.30) | — | |
| SCHEMBL3772856 | 0.59 | CHRM3 (0.47) | — | |
| SCHEMBL1313465 | 0.57 | CYP2D6 (0.34) | — | |
| SCHEMBL11044685 | 0.57 | CYP2D6 (0.46) | — | |
| SCHEMBL10346187 | 0.56 | TAAR1 (0.42) | — | |
| SCHEMBL29757327 | 0.55 | CYP2D6 (0.45) | — | |
| Bicarbonate SCHEMBL27539068 | 0.55 | CYP2D6 (0.55) | — |
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-7384980-B2 | Derivatives of 3,3-diphenylpropylamines | SCHWARZ PHARMA AG (DE) | 2008-06-10 | — | — | US | disclosed |
| US-20060270738-A1 | Novel derivatives of 3,3-diphenylpropylamines | UCB PHARMA GMBH (DE) | 2006-11-30 | — | — | US | disclosed |