⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2951428 | 1.00 | — | — | |
| SCHEMBL2816300 | 0.77 | CA12 (0.31) | — | |
| SCHEMBL18306706 | 0.75 | NPC1 (0.31) | — | |
| SCHEMBL14208558 | 0.70 | — | — | |
| SCHEMBL14119389 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL1567471 | 0.62 | — | — | |
| SCHEMBL60544 | 0.58 | TSHR (0.38) | — | |
| SCHEMBL28773473 | 0.58 | NLRP3 (0.35) | — | |
| SCHEMBL2951827 | 0.57 | NLRP3 (0.55) | — | |
| SCHEMBL2951820 | 0.57 | NLRP3 (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2228373-B1 | METHOD FOR PRODUCING 4'-ETHYNYL d4T | ONCOLYS BIOPHARMA INC (JP) | 2017-02-08 | — | — | EP | disclosed |
| US-9051288-B2 | Method for producing 4′-ethynyl d4T | ONCOLYS BIOPHARMA, INC. (JP) | 2015-06-09 | — | — | US | disclosed |
| US-20100280235-A1 | METHOD FOR PRODUCING 4'ETHYNYL d4T | ONCOLYS BIOPHARMA, INC (JP) | 2010-11-04 | — | — | US | disclosed |
| EP-2228373-A1 | METHOD FOR PRODUCING 4'-ETHYNYL d4T | Oncolys BioPharma, Inc. (JP) | 2010-09-15 | — | — | EP | disclosed |