⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15746246 | 0.75 | — | — | |
| Benzene SCHEMBL17713915 | 0.75 | — | — | |
| Benzene SCHEMBL17713898 | 0.75 | ACE (0.30) | — | |
| SCHEMBL17713864 | 0.70 | — | — | |
| SCHEMBL13464859 | 0.67 | — | — | |
| SCHEMBL9025854 | 0.65 | — | — | |
| SCHEMBL10503613 | 0.65 | — | — | |
| SCHEMBL21916568 | 0.64 | DPP4 (0.31) | — | |
| SCHEMBL12548436 | 0.63 | — | — | |
| SCHEMBL13683343 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4393937-A1 | STEROID COMPOUND AND CONJUGATE THEREOF | Duality Biologics (Suzhou) Co., Ltd. (CN) | 2024-07-03 | — | — | EP | disclosed |
| WO-2023154426-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| US-20120157404-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-06-21 | — | — | US | disclosed |
| EP-2330171-A1 | ULTRAVIOLET ABSORBING AGENT COMPOSITION | FUJIFILM Corporation (JP) | 2011-06-08 | — | — | EP | disclosed |