⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261258 | 0.77 | FDPS (0.31) | — | |
| SCHEMBL11043523 | 0.77 | FDPS (0.31) | — | |
| SCHEMBL3649579 | 0.75 | GGPS1 (0.35) | — | |
| SCHEMBL5478038 | 0.75 | FDPS (0.32) | — | |
| SCHEMBL131478 | 0.74 | — | — | |
| SCHEMBL19371325 | 0.74 | FDPS (0.33) | — | |
| SCHEMBL8951959 | 0.73 | GGPS1 (0.31) | — | |
| SCHEMBL12866831 | 0.72 | GGPS1 (0.36) | — | |
| SCHEMBL10422055 | 0.71 | FDPS (0.30) | — | |
| SCHEMBL31498882 | 0.71 | FDPS (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2079773-B1 | BONDING AGENT FOR GLASS BONDING | DOW GLOBAL TECHNOLOGIES LLC (US) | 2017-06-14 | — | — | EP | claimed |
| EP-0486881-B1 | Non-aqueous polyisocyanate composition | BASF AG (DE) | 1997-02-05 | — | — | EP | claimed |
| US-5387367-A | Storage stability; polyetherurethane copolymer | BASF AKTIENGESELLSCHAFT (DE) | 1995-02-07 | — | — | US | claimed |
| US-5387367-A | Storage stability; polyetherurethane copolymer | BASF AKTIENGESELLSCHAFT (DE) | 1995-02-07 | — | — | US | disclosed |
| US-5387367-A | Storage stability; polyetherurethane copolymer | BASF AKTIENGESELLSCHAFT (DE) | 1995-02-07 | — | — | US | disclosed |