⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15909710 | 0.93 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL15909707 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL15909721 | 0.77 | POLB (0.40) | — | |
| SCHEMBL6680682 | 0.71 | KMT2A (0.31) | — | |
| SCHEMBL6286988 | 0.70 | KMT2A (0.37) | — | |
| SCHEMBL1628392 | 0.69 | — | — | |
| SCHEMBL15909708 | 0.69 | LMNA (0.41) | — | |
| SCHEMBL7422695 | 0.66 | TSHR (0.41) | — | |
| SCHEMBL16059003 | 0.64 | ADORA2A (0.33) | — | |
| SCHEMBL16178016 | 0.64 | ADORA2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9751866-B2 | Hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds | ISP INVESTMENTS LLC (US) | 2017-09-05 | — | — | US | disclosed |
| US-9751866-B2 | Hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds | ISP INVESTMENTS LLC (US) | 2017-09-05 | — | — | US | disclosed |
| US-20150344461-A1 | HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS | ISP INVESTMENTS INC. (US) | 2015-12-03 | — | — | US | disclosed |
| US-20150344461-A1 | HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS | ISP INVESTMENTS INC. (US) | 2015-12-03 | — | — | US | disclosed |
| WO-2014116560-A1 | HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS | ISP INVESTMENTS INC. (US) | 2014-07-31 | — | — | WO | disclosed |