⚠ 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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL3613 | 0.95 | — | — | |
| Pivalate SCHEMBL4318862 | 0.95 | — | — | |
| Pivalate SCHEMBL5116637 | 0.95 | TSHR (0.61) | — | |
| Pivalate SCHEMBL332912 | 0.95 | TSHR (0.61) | — | |
| Pivalate SCHEMBL23001579 | 0.91 | — | — | |
| Pivalate SCHEMBL15771206 | 0.91 | — | — | |
| Pivalate SCHEMBL5274713 | 0.91 | TSHR (0.57) | — | |
| Pivalate SCHEMBL10822159 | 0.91 | — | — | |
| Pivalate SCHEMBL1685641 | 0.91 | — | — | |
| Pivalate SCHEMBL6516524 | 0.91 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3943186-A | Method for producing isopentene | UBE INDUSTRIES, LTD. (JA) | 1976-03-09 | — | — | US | claimed |
| US-20050057884-A1 | Dielectric-forming composition containing particles with perovskite crystal structure, production process and uses of the same, and process for preparing crystal particles having perovskite crystal structure | JSR CORPORATION (JP) | 2005-03-17 | — | — | US | disclosed |
| EP-1513165-A1 | Dielectric-forming composition containing particles with perovskite crystal structure, production process and uses of the same, and process for preparing crystal particles having perovskite crystal structure | JSR Corporation (JP) | 2005-03-09 | — | — | EP | disclosed |
| US-4104141-A | Electrochemical oxidation of alkoxy-substituted aromatic compounds | UOP INC. (US) | 1978-08-01 | — | — | US | disclosed |
| US-3943186-A | Method for producing isopentene | UBE INDUSTRIES, LTD. (JA) | 1976-03-09 | — | — | US | disclosed |