⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310167 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17593273 | 0.97 | — | — | |
| Ethylamine SCHEMBL16584894 | 0.89 | NOS3 (0.53) | — | |
| SCHEMBL1255161 | 0.84 | NOS3 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL18760033 | 0.82 | GABRP (0.50) | — | |
| SCHEMBL2320602 | 0.75 | DYRK1A (0.50) | — | |
| SCHEMBL29432660 | 0.75 | DYRK1A (0.59) | — | |
| SCHEMBL21001790 | 0.75 | DYRK1A (0.59) | — | |
| SCHEMBL3282282 | 0.74 | — | — | |
| SCHEMBL13635718 | 0.72 | NOS3 (0.50) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025224196-A1 | COMPOUNDS | KING'S COLLEGE LONDON (GB) | 2025-10-30 | — | — | WO | disclosed |
| WO-2025124544-A1 | 3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPANE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 华润医药研究院（深圳）有限公司 | 2025-06-19 | — | — | WO | disclosed |
| EP-4460500-A1 | BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) | 2024-11-13 | — | — | EP | disclosed |
| EP-4313989-A1 | HPK1 ANTAGONISTS AND USES THEREOF | Nimbus Saturn, Inc. (US) | 2024-02-07 | — | — | EP | disclosed |
| EP-4308228-A1 | PLASMA KALLIKREIN INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2024-01-24 | — | — | EP | disclosed |
| CN-116583577-A | Heteroaromatic isothiocyanates | 默克专利股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| WO-2023131649-A1 | BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-07-13 | — | — | WO | disclosed |
| WO-2022213062-A1 | HPK1 ANTAGONISTS AND USES THEREOF | Nimbus Saturn, Inc. (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2022197756-A1 | PLASMA KALLIKREIN INHIBITORS | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2022-09-22 | — | — | WO | disclosed |
| US-20220280527-A1 | TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT | PURDUE PHARMA L.P. (US) | 2022-09-08 | — | — | US | disclosed |
| EP-4003992-A1 | 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL) -PYRIMIDINE DERIVATIVES | Merck Patent GmbH (DE) | 2022-06-01 | — | — | EP | disclosed |