⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL7962532 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL2570656 | 1.00 | — | — | |
| Acetonitrile SCHEMBL6268733 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL8413087 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL156477 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7647027 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL6822200 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7460309 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL6263408 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL8505586 | 1.00 | ALDH1A1 (0.40) | — |
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-110603330-B | Oligonucleotide derivative or salt thereof | 协和麒麟株式会社 | 2023-09-05 | — | — | CN | disclosed |
| EP-3617314-B1 | OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF | KYOWA KIRIN CO LTD (JP) | 2023-02-15 | — | — | EP | disclosed |
| US-20210108207-A1 | OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF | KYOWA KIRIN CO., LTD. (JP) | 2021-04-15 | — | — | US | disclosed |
| EP-3617314-A1 | OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF | Kyowa Kirin Co., Ltd. (JP) | 2020-03-04 | — | — | EP | disclosed |
| CN-110603330-A | Oligonucleotide derivative or salt thereof | 协和麒麟株式会社 | 2019-12-20 | — | — | CN | disclosed |