⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7110968 | 1.00 | — | — | |
| SCHEMBL11765423 | 0.86 | FOLH1 (0.55) | — | |
| SCHEMBL8803346 | 0.83 | LMNA (0.50) | — | |
| SCHEMBL8682406 | 0.81 | TSHR (0.52) | — | |
| SCHEMBL7824995 | 0.81 | TSHR (0.52) | — | |
| SCHEMBL11762978 | 0.79 | FOLH1 (0.52) | — | |
| SCHEMBL22814784 | 0.79 | — | — | |
| SCHEMBL10560159 | 0.77 | FOLH1 (0.46) | — | |
| SCHEMBL12908832 | 0.77 | — | — | |
| SCHEMBL1132117 | 0.77 | — | — |
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-1071654-B1 | A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES | SAMSUNG FINE CHEMICALS CO LTD (KR) | 2003-10-22 | — | — | EP | disclosed |
| US-6417403-B1 | AMINATION OF 3,4-DISUBSTITUTED-1-BUTANECARBONYL DERIVATIVE THROUGH CURTIUS OR HOFMAN REARRANGEMENT; SALT FORMATION, CARBAMYLATION | SAMSUNG FINE CHEMICALS CO., LTD. (KR) | 2002-07-09 | — | — | US | disclosed |
| EP-1071654-A1 | A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES | Samsung Fine Chemicals Co., Ltd. (KR) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999052855-A1 | A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES | SAMSUNG FINE CHEMICALS CO., LTD. (KR) | 1999-10-21 | — | — | WO | disclosed |