⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30040617 | 0.66 | — | — | |
| SCHEMBL30128981 | 0.62 | — | — | |
| SCHEMBL9934750 | 0.60 | — | — | |
| SCHEMBL27600757 | 0.54 | — | — | |
| SCHEMBL27884456 | 0.54 | — | — | |
| SCHEMBL29467193 | 0.53 | — | — | |
| SCHEMBL29414587 | 0.51 | — | — | |
| Water SCHEMBL27586520 | 0.51 | — | — | |
| SCHEMBL641884 | 0.48 | — | — | |
| SCHEMBL8523749 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105017172-B | A kind of oxazine compounds of 2 carbonyl of halogen photolytic activity 1,3 and preparation method and application | 中国科学院化学研究所 | 2017-07-14 | — | — | CN | disclosed |
| CN-105017172-B | A kind of oxazine compounds of 2 carbonyl of halogen photolytic activity 1,3 and preparation method and application | 中国科学院化学研究所 | 2017-07-14 | — | — | CN | disclosed |
| CN-105017172-A | Halogenous photoactive 2-carbonyl-1,3-oxazine compound and preparation method therefor and application thereof | CHINESE ACAD INST CHEMISTRY | 2015-11-04 | — | — | CN | disclosed |
| CN-105017172-A | Halogenous photoactive 2-carbonyl-1,3-oxazine compound and preparation method therefor and application thereof | CHINESE ACAD INST CHEMISTRY | 2015-11-04 | — | — | CN | disclosed |
| CN-105017172-A | Halogenous photoactive 2-carbonyl-1,3-oxazine compound and preparation method therefor and application thereof | CHINESE ACAD INST CHEMISTRY | 2015-11-04 | — | — | CN | disclosed |