⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11217316 | 0.80 | — | — | |
| SCHEMBL805280 | 0.71 | — | — | |
| SCHEMBL16864371 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4513212 | 0.67 | — | — | |
| SCHEMBL2713684 | 0.67 | — | — | |
| Phosphine SCHEMBL7269946 | 0.67 | — | — | |
| SCHEMBL15073457 | 0.63 | — | — | |
| SCHEMBL5252124 | 0.63 | — | — | |
| SCHEMBL22282158 | 0.63 | — | — | |
| SCHEMBL18618501 | 0.63 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021159021-A1 | LIPID PRODRUGS OF NEUROSTEROIDS | PURETECH LYT, INC. (US) | 2021-08-12 | — | — | WO | disclosed |
| US-9617453-B2 | Solvent free aqueous polyurethane dispersions and methods of making and using the same | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2017-04-11 | — | — | US | disclosed |
| US-20110306724-A1 | Solvent Free Aqueous Polyurethane Dispersions and Methods of Making and Using the Same | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2011-12-15 | — | — | US | disclosed |
| US-4324716-A | -POLYURETHANE FOAMS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | 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-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-3970601-A | COATINGS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-20 | — | — | US | disclosed |