⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12820646 | 0.76 | — | — | |
| SCHEMBL7513080 | 0.74 | — | — | |
| SCHEMBL11543373 | 0.73 | — | — | |
| SCHEMBL9653828 | 0.73 | — | — | |
| SCHEMBL162683 | 0.73 | — | — | |
| SCHEMBL11542411 | 0.73 | — | — | |
| SCHEMBL18770028 | 0.73 | — | — | |
| SCHEMBL31686419 | 0.70 | — | — | |
| SCHEMBL12968245 | 0.70 | CDK1 (0.42) | — | |
| SCHEMBL18519980 | 0.70 | KDM4E (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022099159-A1 | OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF | WAVE LIFE SCIENCES LTD. (SG) | 2022-05-12 | — | — | WO | disclosed |
| EP-1303495-B1 | SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY | KRENITSKY PHARMACEUTICALS INC (US) | 2010-05-26 | — | — | EP | disclosed |
| US-7205297-B2 | Substituted 5-alkynyl pyrimidines having neurotrophic activity | KRENITSKY PHARMACEUTICALS, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-20040087789-A1 | Substituted 5-alkynyl pyrimidines having neurotrophic activity | MIDCAP FUNDING III, LLC | 2004-05-06 | — | — | US | disclosed |
| EP-1303495-A1 | SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY | Krenitsky Pharmaceuticals, Inc. (US) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002008205-A1 | SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY | KRENITSKY PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |