⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21828063 | 0.72 | — | — | |
| SCHEMBL21827917 | 0.72 | — | — | |
| SCHEMBL21827185 | 0.69 | — | — | |
| SCHEMBL21827292 | 0.69 | — | — | |
| SCHEMBL1714435 | 0.67 | — | — | |
| SCHEMBL10989233 | 0.67 | — | — | |
| SCHEMBL10429762 | 0.65 | — | — | |
| SCHEMBL15870583 | 0.65 | — | — | |
| SCHEMBL731563 | 0.65 | — | — | |
| SCHEMBL10429761 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4894392-A | BACTERICIDES, FUNGICIDES, INFECTIONS | MERCK & CO., INC. (US) | 1990-01-16 | — | — | US | claimed |
| US-4925831-A | TREATING OPPORTUNISTIC INFECTIONS IN IMMUNOCOMPROMISED HOSTS | MERCK & CO., INC. (US) | 1990-05-15 | — | — | US | disclosed |
| US-4923852-A | Aminoalkyl naphthalenediols as host resistance enhancers against viral infections | MERCK & CO., INC. (US) | 1990-05-08 | — | — | US | disclosed |
| US-4894392-A | BACTERICIDES, FUNGICIDES, INFECTIONS | MERCK & CO., INC. (US) | 1990-01-16 | — | — | US | disclosed |
| US-4835177-A | Aminoalkyl naphthalenediols as host resistance enhancers against viral infection | MERCK & CO., INC. (US) | 1989-05-30 | — | — | US | disclosed |