⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30595264 | 0.82 | — | — | |
| SCHEMBL10355371 | 0.78 | — | — | |
| SCHEMBL2849744 | 0.78 | P2RX7 (0.31) | — | |
| Water SCHEMBL11062383 | 0.77 | — | — | |
| SCHEMBL873374 | 0.76 | — | — | |
| SCHEMBL6826957 | 0.71 | HDAC3 (0.32) | — | |
| SCHEMBL292149 | 0.71 | — | — | |
| SCHEMBL477769 | 0.70 | HDAC3 (0.32) | — | |
| SCHEMBL28545091 | 0.69 | — | — | |
| SCHEMBL1050915 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4253494-A1 | ROOM TEMPERATURE CURABLE ORGANOPOLYSILOXANE COMPOSITION, ARTICLE, HYDROLYZABLE ORGANOSILANE COMPOUND AND METHOD FOR PRODUCING SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-10-04 | — | — | EP | disclosed |
| WO-2023127675-A1 | ROOM-TEMPERATURE-CURING RESIN COMPOSITION AND ARTICLE | 信越化学工業株式会社 | 2023-07-06 | — | — | WO | disclosed |