⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19901531 | 0.82 | CES1 (0.39) | — | |
| SCHEMBL23158684 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL1170343 | 0.73 | — | — | |
| SCHEMBL20198785 | 0.73 | — | — | |
| SCHEMBL20032899 | 0.73 | — | — | |
| SCHEMBL27371489 | 0.73 | SPHK2 (0.31) | — | |
| SCHEMBL20939941 | 0.71 | — | — | |
| SCHEMBL27756431 | 0.71 | HDAC3 (0.42) | — | |
| SCHEMBL18665338 | 0.69 | — | — | |
| SCHEMBL23379957 | 0.68 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9782407-B2 | Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2017-10-10 | — | — | US | disclosed |
| US-9481646-B2 | Low calcemic, highly antiproliferative, analogs of calcitriol | THE JOHNS HOPKINS UNIVERSITY (US) | 2016-11-01 | — | — | US | disclosed |
| US-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5495023-A | VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |