⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL11798491 | 0.96 | ALDH1A1 (0.46) | — | |
| Hydroxyamine SCHEMBL27483582 | 0.96 | — | — | |
| SCHEMBL54903 | 0.96 | — | — | |
| SCHEMBL9387 | 0.96 | — | — | |
| SCHEMBL5036885 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL362926 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11081542 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL465774 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3270812 | 0.92 | — | — | |
| Fluoride SCHEMBL1055336 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113518791-B | Storage-stable pigment-containing isocyanate-group-containing formulations having an isocyanate-group-containing grinding resin and use thereof | 科思创知识产权两合公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-107922564-B | Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups | 赢创运营有限公司 | 2021-10-19 | — | — | CN | disclosed |
| EP-3052099-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2019-08-21 | — | — | EP | disclosed |
| CN-107163292-B | A kind of preparation method of ammonium polyphosphate modifying | 广西壮族自治区化工研究院 | 2019-04-02 | — | — | CN | disclosed |
| WO-2018146616-A2 | PRINTABLE MOLECULAR INK | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2018-08-16 | — | — | WO | disclosed |
| CN-107163292-A | A kind of preparation method of ammonium polyphosphate modifying | 广西壮族自治区化工研究院 | 2017-09-15 | — | — | CN | disclosed |
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| US-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | US | disclosed |
| EP-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |