⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28239695 | 0.84 | ESR1 (0.65) | — | |
| Acetonitrile SCHEMBL29066020 | 0.84 | NPC1 (0.44) | — | |
| Acetonitrile SCHEMBL3786777 | 0.84 | IDO1 (0.36) | — | |
| Biphenyl SCHEMBL29145978 | 0.82 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL1153864 | 0.82 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL28931658 | 0.82 | ALDH1A1 (0.60) | — | |
| Water SCHEMBL8153073 | 0.76 | — | — | |
| Cyanate SCHEMBL8848933 | 0.75 | — | — | |
| Propyne SCHEMBL6278091 | 0.75 | — | — | |
| SCHEMBL28088507 | 0.74 | KIF11 (0.42) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3135948-A | — | — | None | — | — | JP | disclosed |
| CN-117466772-A | N-p-benzyl acetonitrile menthyl formamide and preparation method of N-p-benzyl acetonitrile neomenthyl formamide | 安徽丰乐香料有限责任公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-116693396-A | Preparation method of p-nitrophenylacetic acid | 枣阳星耀化工有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-112961079-B | Method for dehydrating primary amide into nitriles by cobalt catalysis | 浙江工业大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-112961079-A | Method for dehydrating primary amide into nitriles by cobalt catalysis | 浙江工业大学 | 2021-06-15 | — | — | CN | disclosed |
| CN-111029579-B | Calcium ion battery positive electrode material, positive electrode and calcium ion battery | 深圳先进技术研究院 | 2020-12-25 | — | — | CN | disclosed |
| CN-111029579-A | Calcium ion battery positive electrode material, positive electrode and calcium ion battery | 深圳先进技术研究院 | 2020-04-17 | — | — | CN | disclosed |
| CN-104312576-B | Piezochromic material and preparation method and application thereof | 吉林大学 | 2020-03-24 | — | — | CN | disclosed |
| CN-1240677-C | Monofluoroalkyl derivatives | LILLY CO ELI (US) | 2006-02-08 | — | — | CN | disclosed |
| US-20040186310-A1 | Process for preparation of cyclohexanol derivatives | KOREA FINE CHEMICAL CO., LTD. (KR) | 2004-09-23 | — | — | US | disclosed |
| EP-1397344-A1 | PROCESS FOR PREPARATION OF CYCLOHEXANOL DERIVATIVES | Wyeth (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2003000652-A1 | PROCESS FOR PREPARATION OF CYCLOHEXANOL DERIVATIVES | WYETH (US) | 2003-01-03 | — | — | WO | disclosed |
| CN-1349497-A | Monofluoroalkyl derivatives | LILLY CO ELI (US) | 2002-05-15 | — | — | CN | disclosed |
| JP-H03135948-A | SUBSTITUTED PHENYLACETONITRILE | AMERICAN HOME PROD CORP | 1991-06-10 | — | — | JP | disclosed |
| EP-0169062-B1 | GLUTARIMIDE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1989-04-19 | — | — | EP | disclosed |
| US-4668689-A | 3-ALKYL-3-PYRIDYL) DERIVATIVES | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1987-05-26 | — | — | US | disclosed |
| EP-0169062-A1 | Glutarimide derivatives, their preparation and pharmaceutical compositions containing them | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1986-01-22 | — | — | EP | disclosed |