⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6508205 | 0.83 | — | — | |
| SCHEMBL1043730 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL10925085 | 0.81 | — | — | |
| SCHEMBL27873677 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL28007944 | 0.67 | — | — | |
| SCHEMBL29536209 | 0.65 | — | — | |
| SCHEMBL694984 | 0.64 | AKR1B1 (0.32) | — | |
| SCHEMBL29496072 | 0.64 | — | — | |
| SCHEMBL3787492 | 0.63 | CA2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL10924546 | 0.63 | AKR1B1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104711235-B | A kind of aromatic ring list oxygenation expandase and its application in oxepin 2 (3H) ketone compounds are prepared | 中国科学院昆明植物研究所 | 2017-11-03 | — | — | CN | disclosed |
| CN-104711235-B | A kind of aromatic ring list oxygenation expandase and its application in oxepin 2 (3H) ketone compounds are prepared | 中国科学院昆明植物研究所 | 2017-11-03 | — | — | CN | disclosed |
| CN-104711235-A | Aromatic ring monooxidation expandase and its application in preparation of oxacycloheptatriene-2(3H)-one compounds | KUNMING INST BOTANY CN ACAD | 2015-06-17 | — | — | CN | disclosed |
| CN-102939011-A | Compounds useful for treating neurodegenerative disorders | SATORI PHARMACEUTICALS INC | 2013-02-20 | — | — | CN | disclosed |