⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5403751 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL22848074 | 0.82 | — | — | |
| SCHEMBL14319152 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL6905999 | 0.76 | — | — | |
| Hexane SCHEMBL27727240 | 0.73 | CYP1A2 (0.40) | — | |
| SCHEMBL10038449 | 0.71 | — | — | |
| SCHEMBL7195167 | 0.71 | — | — | |
| SCHEMBL24253 | 0.71 | — | — | |
| SCHEMBL5895141 | 0.71 | — | — | |
| SCHEMBL5895150 | 0.71 | — | — |
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-7001975-B2 | Polyurethane and polyurethane-based mixed graft polymers and their use for producing coating materials, adhesives and sealing compounds | BASF COATINGS AG (DE) | 2006-02-21 | — | — | US | disclosed |
| US-6852824-B2 | Polyurethanes and graft copolymers based on polyurethane, and their use for producing coating materials, adhesives, and sealing compounds | BASF COATINGS AG (DE) | 2005-02-08 | — | — | US | disclosed |
| US-20040234487-A1 | Polyurethane and polyurethane-based mixed graft polymers and their use for producing coating materials, adhesives and sealing compounds | BASF COATINGS AKTIENGESELLSCHAFT (DE) | 2004-11-25 | — | — | US | disclosed |
| US-20040102595-A1 | Polyurethanes and graft copolymers based on polyurethane, and their use for producing coating materials, adhesives, and sealing compounds | BASF COATINGS AKTIENGESELLSCHAFT (DE) | 2004-05-27 | — | — | US | disclosed |