⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6892855 | 0.87 | SLC18A2 (0.38) | — | |
| SCHEMBL10576474 | 0.81 | — | — | |
| SCHEMBL18576506 | 0.81 | — | — | |
| SCHEMBL18525655 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL16186008 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL12652960 | 0.77 | PHGDH (0.32) | — | |
| SCHEMBL19671149 | 0.76 | CYP1A2 (0.37) | — | |
| SCHEMBL8318799 | 0.73 | — | — | |
| SCHEMBL17987158 | 0.73 | — | — | |
| SCHEMBL17987138 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160332989-A1 | Kinase Inhibitor And Use Thereof | Xuanzhu Biopharmaceutical Co., Ltd. (CN) | 2016-11-17 | — | — | US | disclosed |