⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5095302 | 0.79 | — | — | |
| SCHEMBL1354182 | 0.73 | ESR1 (0.35) | — | |
| SCHEMBL6757095 | 0.65 | KIF11 (0.34) | — | |
| SCHEMBL6760481 | 0.62 | CYP3A4 (0.36) | — | |
| SCHEMBL11044685 | 0.58 | CYP2D6 (0.46) | — | |
| SCHEMBL10346187 | 0.56 | TAAR1 (0.42) | — | |
| SCHEMBL1313465 | 0.55 | CYP2D6 (0.34) | — | |
| SCHEMBL29757327 | 0.55 | CYP2D6 (0.45) | — | |
| Bicarbonate SCHEMBL27539068 | 0.55 | CYP2D6 (0.55) | — | |
| SCHEMBL10346776 | 0.55 | TAAR1 (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040186061-A1 | Novel derivatives of 3,3-diphenylpropylamines | SCHWARZ PHARMA AG | 2004-09-23 | — | — | US | disclosed |