⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8643868 | 1.00 | — | — | |
| SCHEMBL2810742 | 0.90 | — | — | |
| SCHEMBL2686581 | 0.78 | — | — | |
| SCHEMBL10439105 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL21879209 | 0.75 | — | — | |
| SCHEMBL10431571 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL8936398 | 0.75 | — | — | |
| SCHEMBL8936430 | 0.75 | — | — | |
| SCHEMBL8936455 | 0.75 | — | — | |
| SCHEMBL8936464 | 0.75 | — | — |
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-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | CN | claimed |
| CN-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | CN | disclosed |
| EP-0634401-B1 | MDR reversal agents | AMERICAN CYANAMID CO (US) | 1997-08-13 | — | — | EP | disclosed |
| US-5639887-A | MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1997-06-17 | — | — | US | disclosed |
| US-5561141-A | POTENTIATE ACTIVITY OF ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1996-10-01 | — | — | US | disclosed |
| US-5550149-A | SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS | AMERICAN CYANAMID COMPANY (US) | 1996-08-27 | — | — | US | disclosed |
| US-5387685-A | MDR reversal agents | AMERICAN CYANAMID COMPANY | 1995-02-07 | — | — | US | disclosed |
| EP-0634401-A1 | MDR reversal agents | AMERICAN CYANAMID COMPANY (US) | 1995-01-18 | — | — | EP | disclosed |