⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125593 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL5117795 | 0.92 | — | — | |
| Water SCHEMBL27454116 | 0.92 | — | — | |
| Water SCHEMBL27280625 | 0.92 | — | — | |
| Fluoride SCHEMBL27278049 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27689531 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL11026696 | 0.89 | — | — | |
| Ethane SCHEMBL11317426 | 0.89 | TSHR (0.44) | — | |
| Benzene SCHEMBL3066248 | 0.86 | — | — | |
| Water SCHEMBL2999771 | 0.83 | — | — |
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-4565648-A | FOR PRODUCTION OF POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | disclosed |
| US-4517133-A | REACTION OF A SULFONYL CHLORIDE WITH AN ISOCYANATE | TEROSON GMBH (DE) | 1985-05-14 | — | — | US | disclosed |
| US-4297439-A | IN THE PRESENCE OF A DITHIO ETHER; ANTIFOGGING AGENTS | AGFA-GEVAERT AG (DE) | 1981-10-27 | — | — | US | disclosed |
| US-4177346-A | 1,5-Disubstituted-2-pyrrolidones | PFIZER INC. (US) | 1979-12-04 | — | — | US | disclosed |