⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18844709 | 0.72 | — | — | |
| SCHEMBL27728304 | 0.61 | — | — | |
| SCHEMBL36079 | 0.61 | — | — | |
| SCHEMBL6319137 | 0.55 | — | — | |
| Fluoride SCHEMBL6307522 | 0.55 | — | — | |
| Phosphine SCHEMBL25307613 | 0.55 | — | — | |
| SCHEMBL1793267 | 0.55 | — | — | |
| SCHEMBL6841995 | 0.55 | — | — | |
| SCHEMBL22287293 | 0.55 | — | — | |
| Helium SCHEMBL7645253 | 0.55 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118852147-A | Middle-ring macrocyclic compound containing difluoromethyl enamide skeleton and preparation method thereof | 四川大学华西医院 | 2024-10-29 | — | — | CN | claimed |
| CN-118852147-A | Middle-ring macrocyclic compound containing difluoromethyl enamide skeleton and preparation method thereof | 四川大学华西医院 | 2024-10-29 | — | — | CN | disclosed |
| CN-118852147-A | Middle-ring macrocyclic compound containing difluoromethyl enamide skeleton and preparation method thereof | 四川大学华西医院 | 2024-10-29 | — | — | CN | disclosed |
| US-6452000-B2 | ALKYLATION; ACYLATION; CYCLIZATION; IMINATION; USEFUL AS HIV PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-09-17 | — | — | US | disclosed |
| US-20010020093-A1 | Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2001-09-06 | — | — | US | disclosed |
| US-6218534-B1 | Preparation of asymmetric cyclic ureas through a monoacylated diamine intermediate | DUPONT PHARMACEUTICALS COMPANY | 2001-04-17 | — | — | US | disclosed |
| EP-1025092-A2 | PREPARATION OF ASYMMETRIC CYCLIC UREAS THROUGH A MONOACYLATED DIAMINE INTERMEDIATE | Du Pont Pharmaceuticals Company (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999018085-A2 | PREPARATION OF ASYMMETRIC CYCLIC UREAS THROUGH A MONOACYLATED DIAMINE INTERMEDIATE | Britol-Myers Squibb Pharma Company (US) | 1999-04-15 | — | — | WO | disclosed |