⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11542108 | 0.76 | — | — | |
| SCHEMBL17786013 | 0.74 | — | — | |
| SCHEMBL7810260 | 0.74 | — | — | |
| SCHEMBL10458715 | 0.74 | ALOX15 (0.46) | — | |
| SCHEMBL27577532 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL28723956 | 0.74 | ALOX15 (0.46) | — | |
| SCHEMBL346429 | 0.73 | — | — | |
| SCHEMBL11832216 | 0.72 | — | — | |
| SCHEMBL6572365 | 0.72 | — | — | |
| SCHEMBL14587467 | 0.72 | ALOX15 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4957912-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4226866-A | BACTERICIDES, ACYLATION | MERCK & CO., INC. (US) | 1980-10-07 | — | — | US | disclosed |