⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6348373 | 0.76 | CASP3 (0.35) | — | |
| SCHEMBL5152908 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL4954846 | 0.76 | IDO1 (0.43) | — | |
| SCHEMBL2679546 | 0.76 | RAB9A (0.48) | — | |
| SCHEMBL6135309 | 0.76 | GPR55 (0.39) | — | |
| SCHEMBL27651172 | 0.74 | IDO1 (0.42) | — | |
| SCHEMBL2200428 | 0.74 | GPR55 (0.38) | — | |
| SCHEMBL7260662 | 0.72 | — | — | |
| SCHEMBL7903481 | 0.72 | ENPP2 (0.33) | — | |
| SCHEMBL637900 | 0.70 | RAB9A (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |