⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11250666 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL11257904 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL3266583 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL9004479 | 0.75 | — | — | |
| SCHEMBL14121156 | 0.74 | GGPS1 (0.33) | — | |
| SCHEMBL14121153 | 0.74 | GGPS1 (0.33) | — | |
| SCHEMBL2375897 | 0.73 | — | — | |
| SCHEMBL3654899 | 0.73 | — | — | |
| SCHEMBL1191723 | 0.70 | — | — | |
| SCHEMBL43457 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861459-A | POLYDIORGANOSILOXANE, SURFACTANT, AMINO-FUNCTIONALISED POLYORGANOSILOXANE; USED AS A MASTIC OR ANY OTHER SEALING MATERIAL, OR FOR FORMING ANY TYPE OF COATING FOR EXAMPLE IN PAINTINGS | RHONE-POULENC CHIMIE (FR) | 1999-01-19 | — | — | US | claimed |