⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL895844 | 0.81 | — | — | |
| SCHEMBL7781681 | 0.79 | — | — | |
| SCHEMBL16180561 | 0.78 | — | — | |
| SCHEMBL14379091 | 0.77 | — | — | |
| SCHEMBL11412977 | 0.75 | — | — | |
| SCHEMBL4262343 | 0.75 | — | — | |
| SCHEMBL9225947 | 0.73 | — | — | |
| SCHEMBL15762147 | 0.73 | — | — | |
| SCHEMBL115704 | 0.73 | — | — | |
| SCHEMBL523587 | 0.71 | ALDH1A1 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116120360-A | Silyl ether connected furyl dialdehyde compound and preparation method thereof | 中国科学技术大学 | 2023-05-16 | — | — | CN | disclosed |
| US-20120277342-A1 | METHACRYLATE-BASED BULKY SIDE-CHAIN SILOXANE CROSS LINKERS FOR OPTICAL MEDICAL DEVICES | MCGEE JOSEPH A (US) | 2012-11-01 | — | — | US | disclosed |
| US-8246168-B2 | Methacrylate-based bulky side-chain siloxane cross linkers for optical medical devices | BAUSCH & LOMB INCORPORATED (US) | 2012-08-21 | — | — | US | disclosed |
| US-20100118261-A1 | METHACRYLATE-BASED BULKY SIDE-CHAIN SILOXANE CROSS LINKERS FOR OPTICAL MEDICAL DEVICES | VRX HOLDCO LLC | 2010-05-13 | — | — | US | disclosed |
| US-5296624-A | Preparation of sterically-hindered organosilanes | HULS AMERICA, INC. (US) | 1994-03-22 | — | — | US | disclosed |