⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL434851 | 0.76 | — | — | |
| SCHEMBL140385 | 0.76 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL10800556 | 0.71 | — | — | |
| SCHEMBL31078008 | 0.71 | — | — | |
| SCHEMBL10898273 | 0.69 | — | — | |
| SCHEMBL1988691 | 0.64 | — | — | |
| Isopropyl Alcohol SCHEMBL2290715 | 0.62 | ALDH1A1 (0.50) | — | |
| SCHEMBL27803909 | 0.62 | — | — | |
| SCHEMBL27803908 | 0.62 | — | — | |
| SCHEMBL4340448 | 0.54 | TSHR (0.38) | — |
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-20180251643-A1 | ACTIVATION METHOD USING MODIFYING AGENT | THE BOEING COMPANY | 2018-09-06 | — | — | US | claimed |
| US-20080050598-A1 | Activation method using modifying agent | THE BOEING COMPANY | 2008-02-28 | — | — | US | claimed |