⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15648030 | 0.80 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL21879631 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL14722805 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL15953145 | 0.74 | — | — | |
| SCHEMBL16977515 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL16254643 | 0.72 | — | — | |
| SCHEMBL23855153 | 0.72 | — | — | |
| SCHEMBL16254658 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL18669238 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL17574692 | 0.67 | ALDH1A1 (0.33) | — |
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-20210300940-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-09-30 | — | — | US | disclosed |