⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3958120 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL3954790 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL2668138 | 0.81 | — | — | |
| SCHEMBL3294701 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL13618804 | 0.73 | CA1 (0.42) | — | |
| SCHEMBL8167473 | 0.73 | CA1 (0.42) | — | |
| SCHEMBL12806281 | 0.69 | CA1 (0.38) | — | |
| SCHEMBL4053501 | 0.67 | CA1 (0.42) | — | |
| SCHEMBL1387069 | 0.67 | CA1 (0.42) | — | |
| SCHEMBL12445110 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190112305-A1 | BONE MARROW ON X CHROMOSOME KINASE (BMX) INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2019-04-18 | — | — | US | disclosed |
| WO-2008082484-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | SCHERING CORPORATION (US) | 2008-07-10 | — | — | WO | disclosed |
| EP-0702271-A1 | Positive working printing plate | FUJI PHOTO FILM CO., LTD. (JP) | 1996-03-20 | — | — | EP | disclosed |