⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16179443 | 1.00 | — | — | |
| SCHEMBL16478702 | 1.00 | — | — | |
| SCHEMBL23168692 | 0.86 | GRIN1 (0.40) | — | |
| SCHEMBL19174271 | 0.86 | GRIN1 (0.40) | — | |
| SCHEMBL16478701 | 0.78 | — | — | |
| SCHEMBL761689 | 0.75 | — | — | |
| SCHEMBL23168693 | 0.75 | — | — | |
| SCHEMBL16498173 | 0.75 | — | — | |
| SCHEMBL22591736 | 0.74 | — | — | |
| SCHEMBL8998692 | 0.73 | GRIN1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827634-B2 | Small molecule inhibitors of NF-kB inducing kinase | JANSSEN PHARMACEUTICA NV (BE) | 2023-11-28 | — | — | US | disclosed |
| US-20170210724-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-07-27 | — | — | US | disclosed |
| US-20170145034-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-05-25 | — | — | US | disclosed |
| US-9605005-B2 | Alkynyl alcohols and methods of use | GENENTECH, INC. (US) | 2017-03-28 | — | — | US | disclosed |
| WO-2016135163-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-01 | — | — | WO | disclosed |
| US-20160200739-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (CA) | 2016-07-14 | — | — | US | disclosed |
| WO-2015025025-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |
| WO-2015025026-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |