⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4729166 | 0.75 | ESR1 (0.32) | — | |
| SCHEMBL12680254 | 0.75 | ESR1 (0.34) | — | |
| SCHEMBL3481608 | 0.74 | LMNA (0.35) | — | |
| SCHEMBL3481489 | 0.73 | ESR1 (0.33) | — | |
| SCHEMBL3482722 | 0.72 | ESR1 (0.32) | — | |
| SCHEMBL13089075 | 0.69 | ESR1 (0.31) | — | |
| SCHEMBL1456592 | 0.68 | CTSK (0.33) | — | |
| Water SCHEMBL28197942 | 0.67 | MAPT (0.41) | — | |
| SCHEMBL3482587 | 0.65 | LMNA (0.36) | — | |
| SCHEMBL12401084 | 0.65 | LTA4H (0.37) | — |
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-5637135-A | REACTION PRODUCT OF ALKOXYSILANE HAVING FOUR HYDROLYZABLE ALKOXY GROUPS AND ORGANOALKOXYSILANE HAVING HYDROLYZABLE AND NONHYDROLYZABLE GROUPS | CAPILLARY TECHNOLOGY CORPORATION (US) | 1997-06-10 | — | — | US | disclosed |