⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10517306 | 1.00 | — | — | |
| SCHEMBL14679408 | 1.00 | — | — | |
| SCHEMBL21467627 | 0.77 | — | — | |
| SCHEMBL22298013 | 0.74 | — | — | |
| SCHEMBL13935017 | 0.74 | — | — | |
| SCHEMBL21477587 | 0.74 | — | — | |
| SCHEMBL25105580 | 0.72 | — | — | |
| SCHEMBL19382545 | 0.72 | — | — | |
| SCHEMBL22958639 | 0.72 | — | — | |
| SCHEMBL19673404 | 0.72 | — | — |
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-1912997-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2011-09-14 | — | — | EP | disclosed |
| EP-1448511-A1 | METHOD FOR PRODUCING MONOISOPROPYLAMINE | BASF AKTIENGESELLSCHAFT (DE) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003042158-A1 | METHOD FOR PRODUCING MONOISOPROPYLAMINE | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-22 | — | — | WO | disclosed |
| EP-0982293-A1 | Process for the preparation of imines and enamines, and possibly their further hydrogenation into amines | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-01 | — | — | EP | disclosed |