⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23778178 | 0.93 | — | — | |
| SCHEMBL229468 | 0.76 | — | — | |
| SCHEMBL20610163 | 0.73 | — | — | |
| Water SCHEMBL7125495 | 0.72 | — | — | |
| Iodide SCHEMBL3391561 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL965720 | 0.72 | — | — | |
| Bromide SCHEMBL3391854 | 0.72 | — | — | |
| Fluoride SCHEMBL22345969 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11780329 | 0.72 | — | — | |
| SCHEMBL23778175 | 0.69 | ALDH1A1 (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5166232-A | CELLULOSE/PLASTIC BLENDS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE | WOLFF WALSRODE AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |
| US-4310448-A | POLYETHER OR POLYESTER DISPERSANTS FOR POLYURETHANES OR POLUREAS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-01-12 | — | — | US | disclosed |
| US-4305858-A | Process for the preparation of stable ionic dispersions of polyisocyanate-polyaddition products in hydroxyl containing compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1981-12-15 | — | — | US | disclosed |
| US-4184990-A | Process for the preparation of stable dispersions of polyisocyanate-polyaddition products in a hydroxyl containing compound as dispersing agent | BAYER AKTIENGESELLSCHAFT (DE) | 1980-01-22 | — | — | US | disclosed |
| US-4147680-A | Production of polyurethane resins using as active hydrogen material a stable dispersion of ionic polyisocyanate-polyaddition products in hydroxyl containing compounds as a dispersing agent | BAYER AKTIENGESELLSCHAFT (DE) | 1979-04-03 | — | — | US | disclosed |
| US-4092275-A | Polyurethane resins prepared from active hydrogen containing material which is a dispersion of polyisocyanate-polyaddition products in hydroxyl containing compounds as dispersing agents | BAYER AKTIENGESELLSCHAFT (DT) | 1978-05-30 | — | — | US | disclosed |