⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16649009 | 1.00 | — | — | |
| SCHEMBL16649010 | 1.00 | — | — | |
| SCHEMBL153663 | 0.91 | THRB (0.33) | — | |
| SCHEMBL52 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL27623481 | 0.85 | CA2 (0.35) | — | |
| SCHEMBL28249581 | 0.84 | THRB (0.37) | — | |
| SCHEMBL20135729 | 0.82 | CA2 (0.33) | — | |
| SCHEMBL3945657 | 0.82 | CA2 (0.33) | — | |
| SCHEMBL3945654 | 0.82 | CA2 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL2051538 | 0.82 | CA2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114901712-A | AsPd (AcAc) of optical Material 2 UV active derivatives of L catalyzed polycycloolefin compositions | 普罗米鲁斯有限责任公司 | 2022-08-12 | — | — | CN | claimed |
| CN-114901711-A | UV-active derivatives of Pd (AcAc) 2-catalyzed polycycloolefin compositions as optical materials | 普罗米鲁斯有限责任公司 | 2022-08-12 | — | — | CN | claimed |
| WO-2023113253-A1 | ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY COMPRISING SAME | 충남대학교 산학협력단 | 2023-06-22 | — | — | WO | disclosed |
| US-7335802-B2 | Methods of preparing branched aliphatic alcohols | SHELL OIL COMPANY (US) | 2008-02-26 | — | — | US | disclosed |
| US-20070142680-A1 | METHODS OF PREPARING BRANCHED ALIPHATIC ALCOHOLS | AYOUB PAUL M | 2007-06-21 | — | — | US | disclosed |
| US-20050101808-A1 | Methods of preparing branched aliphatic alcohols | SHELL OIL COMPANY | 2005-05-12 | — | — | US | disclosed |