⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19661047 | 0.74 | — | — | |
| SCHEMBL18570174 | 0.74 | — | — | |
| SCHEMBL19656122 | 0.73 | — | — | |
| SCHEMBL12831252 | 0.71 | — | — | |
| SCHEMBL19262995 | 0.71 | — | — | |
| SCHEMBL883548 | 0.69 | — | — | |
| SCHEMBL12640810 | 0.69 | — | — | |
| SCHEMBL17029292 | 0.69 | — | — | |
| SCHEMBL19366460 | 0.69 | — | — | |
| SCHEMBL19493318 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |
| EP-3643707-A1 | 18F-LABELLED COMPOUND FOR PROSTATE CANCER DIAGNOSIS, AND USE THEREOF | Futurechem Co., Ltd. (KR) | 2020-04-29 | — | — | EP | disclosed |
| WO-2003047520-A2 | SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-06-12 | — | — | WO | disclosed |