⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL498637 | 0.81 | — | — | |
| SCHEMBL2118775 | 0.75 | — | — | |
| SCHEMBL6050130 | 0.73 | — | — | |
| SCHEMBL7265398 | 0.73 | — | — | |
| SCHEMBL11485807 | 0.72 | — | — | |
| SCHEMBL11485805 | 0.72 | — | — | |
| SCHEMBL8112905 | 0.71 | — | — | |
| SCHEMBL4620077 | 0.71 | — | — | |
| SCHEMBL27666531 | 0.71 | — | — | |
| SCHEMBL15899598 | 0.69 | — | — |
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-6410497-B1 | DETERGENTS; BLEACHES; ANTISEPTICS | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-25 | — | — | US | claimed |
| US-20220064372-A1 | POLYCARBONATE POLYOL AND USES OF THE SAME | DAIREN CHEMICAL CORPORATION (TW) | 2022-03-03 | — | — | US | disclosed |
| CN-114106314-A | Polycarbonate polyols and use thereof | 大连化学工业股份有限公司 | 2022-03-01 | — | — | CN | disclosed |
| US-4395418-A | 6-HYDROXYETHYL SUBSTITUTED ANTIBIOTICS | SANKYO COMPANY LIMITED (JP) | 1983-07-26 | — | — | US | disclosed |