⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7624503 | 0.89 | — | — | |
| SCHEMBL9773248 | 0.80 | AQP3 (0.30) | — | |
| Acetone SCHEMBL27557244 | 0.77 | — | — | |
| SCHEMBL28278321 | 0.76 | — | — | |
| SCHEMBL3721677 | 0.74 | — | — | |
| SCHEMBL4057061 | 0.73 | — | — | |
| SCHEMBL9578593 | 0.73 | — | — | |
| SCHEMBL5880855 | 0.68 | — | — | |
| SCHEMBL2478544 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL31310607 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016162878-A1 | AN ADVANTAGEOUS PROCESS FOR PREPARING 1-AZONIABICYCLO[2.2.2]OCTANE,3-[(HYDROXYDI-2-THIENYLACETYL)OXY]-1-(3¬PHENOXYPROPYL)-, BROMIDE, (3R)- AND ITS NOVEL CRYSTALLINE FORM-I | HARMAN FINOCHEM LIMITED (IN) | 2016-10-13 | — | — | WO | claimed |
| CN-107075002-B | The manufacturing method of conjugated diolefin polymer | 日本瑞翁株式会社 | 2019-11-19 | — | — | CN | disclosed |
| CN-107075002-A | The manufacture method of conjugated diolefin polymer | 日本瑞翁株式会社 | 2017-08-18 | — | — | CN | disclosed |
| WO-2016162878-A1 | AN ADVANTAGEOUS PROCESS FOR PREPARING 1-AZONIABICYCLO[2.2.2]OCTANE,3-[(HYDROXYDI-2-THIENYLACETYL)OXY]-1-(3¬PHENOXYPROPYL)-, BROMIDE, (3R)- AND ITS NOVEL CRYSTALLINE FORM-I | HARMAN FINOCHEM LIMITED (IN) | 2016-10-13 | — | — | WO | disclosed |