⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11617004 | 0.78 | — | — | |
| SCHEMBL4499955 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11211435 | 0.76 | GAA (0.52) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.75 | GAA (1.00) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.75 | GAA (1.00) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.75 | GAA (1.00) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.75 | GAA (1.00) | — | |
| Ethyl Propionate SCHEMBL16045 | 0.75 | — | — | |
| Ethyl Propionate SCHEMBL1332690 | 0.75 | — | — | |
| Ethyl Propionate SCHEMBL4883389 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4950648-A | SUBSTITUTED PYRIDO(2,3-D) OR PYRIMIDO(4,5-D) PYRIMIDINE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-08-21 | — | — | US | disclosed |