⚠ 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 SCHEMBL28612638 | 0.96 | RAPGEF4 (0.48) | — | |
| SCHEMBL12156 | 0.92 | — | — | |
| SCHEMBL19260352 | 0.90 | RAPGEF4 (0.44) | — | |
| SCHEMBL1133443 | 0.81 | RAPGEF4 (0.43) | — | |
| SCHEMBL20080910 | 0.81 | RAPGEF4 (0.39) | — | |
| SCHEMBL13316887 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL20811637 | 0.79 | RAPGEF4 (0.38) | — | |
| SCHEMBL98186 | 0.78 | — | — | |
| SCHEMBL3601402 | 0.78 | — | — | |
| SCHEMBL12462 | 0.78 | — | — |
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
Appears in 2852 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260058209-A1 | ELECTROLYTE COMPOSITION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY CONTAINING THE SAME | HYUNDAI MOTOR CO LTD (KR) | 2026-02-26 | — | — | US | claimed |
| CN-119792995-A | Extraction liquid for extracting lithium ion battery electrolyte and extraction method of lithium ion battery electrolyte | 江苏正力新能电池技术股份有限公司 | 2025-04-11 | — | — | CN | claimed |
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | claimed |
| US-20230278958-A1 | TRICYCLIC HETEROCYCLES | MERCK PATENT GMBH (DE) | 2023-09-07 | — | — | US | claimed |
| US-20230174538-A1 | Tricyclic heterocycles | MERCK PATENT GMBH (DE) | 2023-06-08 | — | — | US | claimed |
| EP-4185564-A1 | TRICYCLIC HETEROCYCLES | Merck Patent GmbH (DE) | 2023-05-31 | — | — | EP | claimed |
| CN-116134016-A | Tricyclic heterocycles | 默克专利股份公司 | 2023-05-16 | — | — | CN | claimed |
| WO-2023078813-A1 | HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS | MERCK PATENT GMBH (DE) | 2023-05-11 | — | — | WO | claimed |
| US-20230131260-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | claimed |
| EP-4146652-A1 | TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS | Merck Patent GmbH (DE) | 2023-03-15 | — | — | EP | claimed |
| WO-2002100344-A2 | AMINO ACID CONJUGATES PROVIDING FOR SUSTAINED SYSTEMIC CONCENTRATIONS OF GABA ANALOGUES | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| US-6495540-B2 | HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR | BRISTOL - MYERS SQUIBB PHARMA COMPANY | 2002-12-17 | — | — | US | claimed |
| EP-1228049-A1 | ANTIFUNGAL SORDARICIN DERIVATIVES | Glaxo Wellcome S.A. (ES) | 2002-08-07 | — | — | EP | claimed |
| US-6410528-B1 | FUNGICIDES, ANTIPROTOZOA AGENT | GLAXO WELLCOME S.A. (ES) | 2002-06-25 | — | — | US | claimed |
| US-20020010172-A1 | Lactams as inhibitors of A-beta protein production | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-01-24 | — | — | US | claimed |
| US-6288091-B1 | COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX | BOEHRINGER INGELHEIM LTD. (CA) | 2001-09-11 | — | — | US | claimed |
| CN-1309651-A | Morpholine ethers | GLAXO WELLCOME SA (ES) | 2001-08-22 | — | — | CN | claimed |
| WO-2001034583-A1 | ANTIFUNGAL SORDARICIN DERIVATIVES | GLAXO WELLCOME SA (ES) | 2001-05-17 | — | — | WO | claimed |
| EP-1077959-A1 | MORPHOLINO ETHERS | Glaxo Wellcome S.A. (ES) | 2001-02-28 | — | — | EP | claimed |
| WO-1999058512-A1 | MORPHOLINO ETHERS | GLAXO WELLCOME S.A. (ES) | 1999-11-18 | — | — | WO | claimed |