⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10369886 | 0.76 | CHRNA4 (0.32) | — | |
| SCHEMBL8557552 | 0.71 | ADRB2 (0.32) | — | |
| SCHEMBL27881984 | 0.70 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL3466377 | 0.70 | ADRB2 (0.33) | — | |
| SCHEMBL3439382 | 0.70 | ADRB2 (0.33) | — | |
| SCHEMBL8129014 | 0.68 | ADRB2 (0.40) | — | |
| SCHEMBL6074317 | 0.68 | ADRB2 (0.40) | — | |
| SCHEMBL10341872 | 0.67 | ADRB2 (0.45) | — | |
| SCHEMBL2308342 | 0.67 | — | — | |
| SCHEMBL18530419 | 0.67 | ADRB2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0853619-A1 | DISUBSTITUTED PIPERIDINE DERIVATIVES | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997013769-A1 | DISUBSTITUTED PIPERIDINE DERIVATIVES | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-04-17 | — | — | WO | disclosed |