⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22092159 | 0.70 | — | — | |
| SCHEMBL10072455 | 0.67 | — | — | |
| SCHEMBL15145227 | 0.65 | — | — | |
| SCHEMBL21858481 | 0.61 | — | — | |
| SCHEMBL6936806 | 0.61 | — | — | |
| SCHEMBL10400392 | 0.59 | — | — | |
| SCHEMBL10400391 | 0.59 | — | — | |
| SCHEMBL2334013 | 0.59 | — | — | |
| SCHEMBL10337444 | 0.59 | — | — | |
| SCHEMBL11402429 | 0.57 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111670181-A | 2-ethyl-2, 3-epoxy butyraldehyde and preparation method thereof | 捷恩智株式会社 | 2020-09-15 | — | — | CN | claimed |
| WO-2019216035-A1 | 2-ETHYL-2,3-EPOXYBUTANAL AND METHOD FOR PRODUCING SAME | JNC株式会社 (JP) | 2019-11-14 | — | — | WO | claimed |
| CN-113056459-A | Epoxy compound | 捷恩智株式会社 | 2021-06-29 | — | — | CN | disclosed |
| CN-112805273-A | 2-ethyl-2, 3-epoxybutoxy compound | 捷恩智株式会社 | 2021-05-14 | — | — | CN | disclosed |
| CN-112805273-A | 2-ethyl-2, 3-epoxybutoxy compound | 捷恩智株式会社 | 2021-05-14 | — | — | CN | disclosed |
| CN-111670181-A | 2-ethyl-2, 3-epoxy butyraldehyde and preparation method thereof | 捷恩智株式会社 | 2020-09-15 | — | — | CN | disclosed |
| CN-111670181-A | 2-ethyl-2, 3-epoxy butyraldehyde and preparation method thereof | 捷恩智株式会社 | 2020-09-15 | — | — | CN | disclosed |
| CN-111670181-A | 2-ethyl-2, 3-epoxy butyraldehyde and preparation method thereof | 捷恩智株式会社 | 2020-09-15 | — | — | CN | disclosed |
| WO-2020121577-A1 | EPOXY COMPOUND | JNC株式会社 | 2020-06-18 | — | — | WO | disclosed |
| WO-2020121577-A1 | EPOXY COMPOUND | JNC株式会社 | 2020-06-18 | — | — | WO | disclosed |
| WO-2020079895-A1 | 2-ETHYL-2, 3-EPOXYBUTYLOXY COMPOUND | JNC株式会社 | 2020-04-23 | — | — | WO | disclosed |
| WO-2019216035-A1 | 2-ETHYL-2,3-EPOXYBUTANAL AND METHOD FOR PRODUCING SAME | JNC株式会社 (JP) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019216035-A1 | 2-ETHYL-2,3-EPOXYBUTANAL AND METHOD FOR PRODUCING SAME | JNC株式会社 (JP) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019216035-A1 | 2-ETHYL-2,3-EPOXYBUTANAL AND METHOD FOR PRODUCING SAME | JNC株式会社 (JP) | 2019-11-14 | — | — | WO | disclosed |