⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2160893 | 0.89 | AKR1B1 (0.38) | — | |
| Formic Acid SCHEMBL2167136 | 0.87 | TSHR (0.35) | — | |
| SCHEMBL20756 | 0.82 | — | — | |
| Propylene Glycol SCHEMBL1004146 | 0.80 | — | — | |
| Propylene Glycol SCHEMBL1002868 | 0.80 | TDP1 (0.67) | — | |
| Propylene Glycol SCHEMBL1003896 | 0.80 | TDP1 (0.67) | — | |
| Formic Acid SCHEMBL1683957 | 0.79 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL11671057 | 0.78 | — | — | |
| SCHEMBL8083861 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL11707319 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025094035-A1 | TOLL-LIKE RECEPTOR AGONISTS AND CONJUGATES THEREOF | PFIZER INC. (US) | 2025-05-08 | — | — | WO | disclosed |