⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21475565 | 0.86 | — | — | |
| SCHEMBL806008 | 0.81 | — | — | |
| SCHEMBL13897256 | 0.78 | DRD2 (0.37) | — | |
| SCHEMBL12312378 | 0.76 | DRD2 (0.33) | — | |
| SCHEMBL27407141 | 0.76 | DRD2 (0.33) | — | |
| SCHEMBL17354464 | 0.76 | DRD2 (0.33) | — | |
| SCHEMBL25834535 | 0.76 | DRD2 (0.33) | — | |
| SCHEMBL11704926 | 0.75 | TP53 (0.37) | — | |
| SCHEMBL6442272 | 0.75 | — | — | |
| SCHEMBL21555966 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162384-A | Polyurethane insulation | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-11-10 | — | — | US | claimed |
| US-20210309896-A1 | ONE-COMPONENT HOT MELT POLYURETHANE ADHESIVE | DDP SPECIALTY ELECTRONIC MATERIALS US, LLC | 2021-10-07 | — | — | US | disclosed |
| CN-101535374-A | Curable organic polymer, process for producing the same, and curable composition containing the same | KANEKA CORP (JP) | 2009-09-16 | — | — | CN | disclosed |