⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4449326 | 0.94 | ANPEP (0.36) | — | |
| SCHEMBL18627980 | 0.83 | ANPEP (0.38) | — | |
| SCHEMBL2741644 | 0.82 | — | — | |
| SCHEMBL104424 | 0.82 | — | — | |
| SCHEMBL104428 | 0.82 | — | — | |
| SCHEMBL4823236 | 0.79 | KMT2A (0.39) | — | |
| SCHEMBL18898232 | 0.78 | — | — | |
| SCHEMBL27117131 | 0.78 | — | — | |
| SCHEMBL9432408 | 0.78 | — | — | |
| SCHEMBL28466687 | 0.78 | ALDH1A1 (0.37) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105254820-B | A kind of preparation method of Early-strength polycarboxylate superplasticizer of carbon containing oxa- ring and products thereof | 上海台界化工有限公司 | 2018-01-05 | — | — | CN | claimed |
| CN-105254820-A | Preparation method of early-strength type polycarboxylate superplasticizer containing carbon-oxygen heterocyclic ring and product of early-strength type polycarboxylate superplasticizer | SHANGHAI TAIJIE CHEMICAL CO LTD | 2016-01-20 | — | — | CN | claimed |
| CN-105254820-B | A kind of preparation method of Early-strength polycarboxylate superplasticizer of carbon containing oxa- ring and products thereof | 上海台界化工有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-105254820-A | Preparation method of early-strength type polycarboxylate superplasticizer containing carbon-oxygen heterocyclic ring and product of early-strength type polycarboxylate superplasticizer | SHANGHAI TAIJIE CHEMICAL CO LTD | 2016-01-20 | — | — | CN | disclosed |
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2006024841-A2 | BENZAMIDE COMPOUNDS | ASTRAZENECA AB (SE) | 2006-03-09 | — | — | WO | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |
| EP-0424525-B1 | NOVEL AMINES AND THEIR USE | MITSUI PETROCHEMICAL IND (JP) | 1994-12-21 | — | — | EP | disclosed |
| US-5192799-A | Coumaran group containing amine compounds and their acid addition salts and quaternary ammonium salts and the use thereof as anti arrhythmic agents and as psychotropic agents | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-09 | — | — | US | disclosed |
| EP-0424525-A1 | NOVEL AMINES AND THEIR USE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-05-02 | — | — | EP | disclosed |