⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42320 | 1.00 | — | — | |
| SCHEMBL31306179 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL8975953 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL1115597 | 0.95 | — | — | |
| Benzene SCHEMBL8014070 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL28959329 | 0.83 | ALDH1A1 (0.35) | — | |
| Bicarbonate SCHEMBL18227134 | 0.80 | LMNA (0.41) | — | |
| Ethylene Glycol SCHEMBL11417061 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL28648654 | 0.78 | KIF11 (0.35) | — | |
| SCHEMBL28745618 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897521-B2 | Low dielectric constant plasma polymerized thin film and manufacturing method thereof | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2011-03-01 | — | — | US | disclosed |
| CN-101600675-A | The method for preparing neohexene | BP OIL INT (GB) | 2009-12-09 | — | — | CN | disclosed |
| US-7550514-B2 | Defoamer compositions | WACKER CHEMIE AG (DE) | 2009-06-23 | — | — | US | disclosed |
| US-20060020082-A1 | Defoamer compositions | WACKER-CHEMIE GMBH (DE) | 2006-01-26 | — | — | US | disclosed |