⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31121860 | 0.81 | — | — | |
| SCHEMBL874337 | 0.72 | — | — | |
| SCHEMBL5519070 | 0.65 | — | — | |
| SCHEMBL14914458 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL10574450 | 0.63 | — | — | |
| SCHEMBL9714984 | 0.63 | — | — | |
| SCHEMBL7092607 | 0.63 | — | — | |
| SCHEMBL1177795 | 0.61 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL6036467 | 0.59 | LMNA (0.31) | — | |
| SCHEMBL10473236 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1228060-A1 | ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | Boehringer Ingelheim Pharma KG (DE) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032649-A1 | ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-05-10 | — | — | WO | disclosed |
| EP-0927192-A1 | MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998011128-A1 | MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1998-03-19 | — | — | WO | disclosed |