⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42956 | 0.85 | ALDH1A1 (0.48) | — | |
| SCHEMBL128014 | 0.84 | LMNA (0.36) | — | |
| Magnesium SCHEMBL8463764 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL9945703 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL9945705 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL10389154 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL4323031 | 0.82 | ALDH1A1 (0.46) | — | |
| Ethane SCHEMBL887641 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL9945700 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL17401248 | 0.82 | ALDH1A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103855428-B | Electrolyte for lithium rechargeable battery and the lithium rechargeable battery including it | 三星SDI株式会社 | 2018-03-20 | — | — | CN | claimed |
| CN-103840127-B | Positive electrode active material layer, partition plate and containing its at least one lithium rechargeable battery | 三星SDI株式会社 | 2018-05-25 | — | — | CN | disclosed |
| CN-103855428-B | Electrolyte for lithium rechargeable battery and the lithium rechargeable battery including it | 三星SDI株式会社 | 2018-03-20 | — | — | CN | disclosed |
| US-20170174632-A1 | 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY | ETH ZURICH (CH) | 2017-06-22 | — | — | US | disclosed |
| US-20170174632-A1 | 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY | ETH ZURICH (CH) | 2017-06-22 | — | — | US | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |