⚠ 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 | |
|---|---|---|---|---|
| 3-Pentanol SCHEMBL27396835 | 0.87 | — | — | |
| Formic Acid SCHEMBL28292503 | 0.83 | — | — | |
| Formic Acid SCHEMBL1362075 | 0.83 | — | — | |
| 3-Pentanol SCHEMBL5341 | 0.82 | — | — | |
| Formic Acid SCHEMBL11662526 | 0.81 | MAPT (0.43) | — | |
| Butanol SCHEMBL10728027 | 0.80 | — | — | |
| 3-Heptanol SCHEMBL28446134 | 0.79 | TSHR (0.48) | — | |
| Formic Acid SCHEMBL10896601 | 0.79 | SLC22A6 (0.55) | — | |
| 3-Pentanol SCHEMBL7547369 | 0.78 | — | — | |
| 3-Pentanol SCHEMBL3183384 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11254651-B2 | Histone methyltransferase inhibitors | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2022-02-22 | — | — | US | disclosed |
| US-20190047981-A1 | HISTONE METHYLTRANSFERASE INHIBITORS | GLOBAL BLOOD THERAPEUTICS, INC. | 2019-02-14 | — | — | US | disclosed |