⚠ 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-Methylbutanoic Acid SCHEMBL467274 | 0.97 | TDP1 (0.56) | — | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.97 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.97 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8574420 | 0.93 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL6139482 | 0.93 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL15772049 | 0.93 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572474 | 0.93 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572477 | 0.93 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL9185998 | 0.93 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL123995 | 0.93 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101193849-B | Niobium 2-ethylhexanoate derivative, method for producing the derivative, organic acid metal salt composition containing the derivative, and method for producing thin film using the composition | ADEKA CORP. (JP) | 2011-12-28 | — | — | CN | disclosed |
| CN-101193849-A | Niobium 2-ethylhexanoate derivative, method for producing the derivative, organic acid metal salt composition containing the derivative, and method for producing thin film using the composition | ADEKA CORP (JP) | 2008-06-04 | — | — | CN | disclosed |
| US-5807495-A | Bi-based dielectric thin films, and compositions and method for forming them | MITSUBISHI MATERIALS CORPORATION (JP) | 1998-09-15 | — | — | US | disclosed |