⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11700424 | 0.98 | CA1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL11701870 | 0.98 | CA1 (0.33) | — | |
| SCHEMBL11808956 | 0.98 | CA1 (0.33) | — | |
| Lithium Ion SCHEMBL11700416 | 0.98 | CA1 (0.33) | — | |
| SCHEMBL11808941 | 0.98 | CA1 (0.33) | — | |
| SCHEMBL2159399 | 0.93 | CA1 (0.43) | — | |
| SCHEMBL11701071 | 0.91 | CA1 (0.41) | — | |
| SCHEMBL10950055 | 0.91 | KMT2A (0.45) | — | |
| SCHEMBL11808181 | 0.91 | CA1 (0.41) | — | |
| SCHEMBL10950712 | 0.91 | KMT2A (0.45) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117701516-A | Alkene reductase, enzyme preparation, nucleic acid, expression vector, preparation method and application | 河北工业大学 | 2024-03-15 | — | — | CN | disclosed |
| CN-109053455-A | A kind of α-nitro-alpha-aryl ketones compounds synthetic method | 兰州大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-108927219-A | Simultaneously catalytic oxidation of cyclic ketone class prepares lactone compound to green high-efficient synthesis metalloporphyrin conjugated polymer | 湖南大学 | 2018-12-04 | — | — | CN | disclosed |
| CN-102276471-B | Method for preparing nitro compound by using nitrogen suboxide | PENG XINHUA | 2014-12-03 | — | — | CN | disclosed |
| CN-103396319-A | Method for preparing nitrocompounds from nitrogen suboxides | PENG XINHUA | 2013-11-20 | — | — | CN | disclosed |
| CN-103396315-A | Method for preparing nitrocompounds from nitrogen suboxides | PENG XINHUA | 2013-11-20 | — | — | CN | disclosed |
| CN-102276471-A | Method for preparing nitro compound by using nitrogen suboxide | — | 2011-12-14 | — | — | CN | disclosed |
| EP-0632010-B1 | Process for the preparation of diesters of alpha, omega dicarboxylic acids | BASF AG (DE) | 1997-09-17 | — | — | EP | disclosed |
| US-5453535-A | Preparation of α,ω-dicarboxylic acid diesters | BASF AKTIENGESELLSCHAFT (DE) | 1995-09-26 | — | — | US | disclosed |
| EP-0632010-A1 | Process for the preparation of diesters of alpha, omega dicarboxylic acids | BASF Aktiengesellschaft (DE) | 1995-01-04 | — | — | EP | disclosed |