⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27405766 | 0.77 | — | — | |
| SCHEMBL27401544 | 0.72 | HSP90AA1 (0.32) | — | |
| SCHEMBL11283560 | 0.70 | — | — | |
| SCHEMBL2759539 | 0.70 | — | — | |
| SCHEMBL6970710 | 0.70 | — | — | |
| SCHEMBL7349583 | 0.70 | P2RX7 (0.33) | — | |
| SCHEMBL7287541 | 0.70 | P2RX7 (0.33) | — | |
| SCHEMBL8600570 | 0.69 | HSP90AA1 (0.32) | — | |
| SCHEMBL7358775 | 0.67 | P2RX7 (0.32) | — | |
| SCHEMBL7358778 | 0.67 | P2RX7 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4339453-A | BACTERICIDES, FUNGICIDES | MERCK & CO., INC. (US) | 1982-07-13 | — | — | US | disclosed |