⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27344013 | 0.98 | MAOA (0.31) | — | |
| SCHEMBL1248241 | 0.69 | MEN1 (0.31) | — | |
| SCHEMBL22134876 | 0.69 | — | — | |
| SCHEMBL12657196 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL2499343 | 0.69 | NOS2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29848740 | 0.68 | NOS2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28450806 | 0.68 | NOS2 (0.32) | — | |
| SCHEMBL1036164 | 0.68 | MAPT (0.38) | — | |
| SCHEMBL4186548 | 0.68 | PTPRC (0.40) | — | |
| SCHEMBL8864642 | 0.67 | PTPN1 (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103833637-B | One prepares the method according to bent (Evacetrapib) intermediate of plug | WUHAN WUYAO PHARMACEUTICAL CO., LTD. (CN) | 2016-01-06 | — | — | CN | disclosed |
| CN-103896842-B | A kind of preparation method of tolvaptan intermediate | HUANGGANG FUCHI PHARMACEUTICAL CO., LTD. (CN) | 2015-09-02 | — | — | CN | disclosed |
| CN-103896842-B | A kind of preparation method of tolvaptan intermediate | HUANGGANG FUCHI PHARMACEUTICAL CO., LTD. (CN) | 2015-09-02 | — | — | CN | disclosed |
| CN-103833636-B | A kind of synthetic method of mozavaptan intermediate | WUHAN WUYAO PHARMACEUTICAL CO., LTD. (CN) | 2015-09-02 | — | — | CN | disclosed |
| CN-103896842-A | Preparation method of tolvaptan intermediate | Huanggang fuchi pharmaceutical co ltd | 2014-07-02 | — | — | CN | disclosed |
| CN-103833636-A | Synthetic method of mozavaptan intermediate | WUHAN WUYAO PHARMACEUTICAL CO LTD | 2014-06-04 | — | — | CN | disclosed |
| CN-103833637-A | Method for preparing intermediate of evacetrapib | WUHAN WUYAO PHARMACEUTICAL CO LTD | 2014-06-04 | — | — | CN | disclosed |