⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3155684 | 0.98 | — | — | |
| SCHEMBL3306803 | 0.88 | — | — | |
| SCHEMBL1695288 | 0.85 | ADRB2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL28196286 | 0.81 | ADRB2 (0.36) | — | |
| SCHEMBL3307803 | 0.81 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8595507 | 0.78 | TSHR (0.33) | — | |
| Methyl Alcohol SCHEMBL27880650 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL11504759 | 0.75 | CYP3A4 (0.40) | — | |
| SCHEMBL3308695 | 0.73 | — | — | |
| SCHEMBL8953033 | 0.73 | ADRB2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0833857-B1 | IMPROVED SCORCH SAFETY OF CURABLE FLUOROELASTOMER COMPOSITIONS | DYNEON LLC (US) | 2002-07-24 | — | — | EP | claimed |