⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9208871 | 0.93 | TSHR (0.32) | — | |
| SCHEMBL9215774 | 0.93 | TSHR (0.32) | — | |
| SCHEMBL7992617 | 0.90 | — | — | |
| SCHEMBL7992448 | 0.85 | NPC1 (0.32) | — | |
| SCHEMBL7998016 | 0.83 | NPC1 (0.31) | — | |
| SCHEMBL21531685 | 0.82 | — | — | |
| SCHEMBL11079043 | 0.82 | — | — | |
| SCHEMBL9207932 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL9208174 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL9209670 | 0.81 | TSHR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1272463-A1 | ENHANCED PROPERTIED PHARMACEUTICALS | ROHM AND HAAS COMPANY (US) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |
| WO-2001054481-A2 | ENHANCED PROPERTIED PHARMACEUTICALS | ROHM AND HAAS COMPANY (US) | 2001-08-02 | — | — | WO | disclosed |
| WO-2001055082-A2 | INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS | ROHM AND HAAS COMPANY (US) | 2001-08-02 | — | — | WO | disclosed |