⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28062039 | 1.00 | — | — | |
| SCHEMBL5573 | 0.96 | — | — | |
| SCHEMBL4284214 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1956986 | 0.92 | — | — | |
| Iodide SCHEMBL7115096 | 0.92 | — | — | |
| SCHEMBL23304293 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1533611 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3571584 | 0.92 | — | — | |
| SCHEMBL9187858 | 0.92 | — | — | |
| Bromide SCHEMBL7112966 | 0.92 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111217761-A | Method for producing imine compound | 中国科学院大连化学物理研究所 | 2020-06-02 | — | — | CN | claimed |
| CN-111217761-B | Method for producing imine compound | 中国科学院大连化学物理研究所 | 2022-08-30 | — | — | CN | disclosed |
| CN-109262373-B | Method for grinding zirconia ceramics | 东莞华晶粉末冶金有限公司 | 2020-06-02 | — | — | CN | disclosed |
| CN-111217761-A | Method for producing imine compound | 中国科学院大连化学物理研究所 | 2020-06-02 | — | — | CN | disclosed |
| CN-107428731-A | Substituted 2-hydro-pyrazole derivatives as anti-cancer agents | 正大天晴药业集团股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| US-20150147273-A1 | RADIOLABELED ANALOG(S) OF COMPOUND 0118 AND USE THEREOF IN CONNECTION WITH PET AND/OR SPECT IMAGING TO DETERMINE WHETHER A PHARMACEUTICAL CONTAINING COMPOUND 0118 IS A CANDIDATE CANCER TREATMENT FOR A PATIENT | KONINKLIJKE PHILIPS N.V. (NL) | 2015-05-28 | — | — | US | disclosed |
| US-5532138-A | Method and kits for determining peroxidatively active catalysts | BEHRINGWERKE AG (DE) | 1996-07-02 | — | — | US | disclosed |