⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22774658 | 0.97 | CA2 (0.39) | — | |
| SCHEMBL20370850 | 0.97 | CA2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL28720024 | 0.95 | CA2 (0.38) | — | |
| SCHEMBL7132326 | 0.85 | — | — | |
| SCHEMBL21070374 | 0.84 | — | — | |
| SCHEMBL21070519 | 0.82 | CA2 (0.37) | — | |
| SCHEMBL18537903 | 0.82 | CA2 (0.42) | — | |
| SCHEMBL17404787 | 0.82 | CA2 (0.42) | — | |
| SCHEMBL21441729 | 0.80 | CYP1A2 (0.35) | — | |
| SCHEMBL13844260 | 0.77 | CA2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11725064-B2 | Chimeric small molecules for the recruitment of antibodies to cancer cells | YALE UNIVERSITY (US) | 2023-08-15 | — | — | US | disclosed |
| WO-2022187693-A1 | COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES | UMBRA THERAPEUTICS INC. (US) | 2022-09-09 | — | — | WO | disclosed |