⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL1312661 | 0.86 | — | — | |
| Carbamic Acid SCHEMBL2497041 | 0.82 | — | — | |
| Urea SCHEMBL3240508 | 0.82 | — | — | |
| SCHEMBL4475934 | 0.80 | LMNA (0.62) | — | |
| SCHEMBL52275 | 0.80 | — | — | |
| Acetamide SCHEMBL6307 | 0.78 | — | — | |
| Formic Acid SCHEMBL20943274 | 0.75 | — | — | |
| Water SCHEMBL23118545 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL12504956 | 0.75 | — | — | |
| SCHEMBL1553741 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240343710-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | 1CBIO, INC. | 2024-10-17 | — | — | US | disclosed |
| EP-4441042-A1 | 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME | Rgenta Therapeutics, Inc. (US) | 2024-10-09 | — | — | EP | disclosed |
| WO-2024178127-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | 1CBIO, INC. (US) | 2024-08-29 | — | — | WO | disclosed |
| WO-2023102231-A1 | 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME | RGENTA THERAPEUTICS, INC. (US) | 2023-06-08 | — | — | WO | disclosed |