⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16860544 | 1.00 | TRIM24 (0.38) | — | |
| SCHEMBL16860545 | 1.00 | TRIM24 (0.38) | — | |
| SCHEMBL10712112 | 0.95 | — | — | |
| SCHEMBL31232329 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL29634395 | 0.87 | — | — | |
| SCHEMBL5247669 | 0.86 | — | — | |
| Cyclooctene SCHEMBL164002 | 0.78 | HDAC3 (0.34) | — | |
| SCHEMBL8726716 | 0.75 | — | — | |
| SCHEMBL1710977 | 0.73 | — | — | |
| SCHEMBL612569 | 0.73 | — | — |
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-20160289527-A1 | CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI | ALBEMARLE CORP (US) | 2016-10-06 | — | — | US | disclosed |