⚠ 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 SCHEMBL2017512 | 0.81 | TRPA1 (0.58) | — | |
| Ammonia Solution, Strong SCHEMBL9810941 | 0.81 | TRPA1 (0.58) | — | |
| Ammonia Solution, Strong SCHEMBL27787866 | 0.78 | TRPA1 (0.55) | — | |
| Bromide SCHEMBL3447848 | 0.78 | TRPA1 (0.55) | — | |
| Bromide SCHEMBL27507502 | 0.78 | TRPA1 (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL27819136 | 0.78 | TRPA1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL13506528 | 0.78 | TRPA1 (0.55) | — | |
| SCHEMBL40704 | 0.77 | — | — | |
| SCHEMBL5494561 | 0.77 | TRPA1 (0.61) | — | |
| SCHEMBL3094328 | 0.77 | CYP2A6 (0.43) | — |
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 4271 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 |
|---|---|---|---|---|---|---|---|
| CN-117831652-A | Prediction method of olefin hydroformylation positive-to-negative ratio | 上海华谊控股集团有限公司 | 2024-04-05 | — | — | CN | claimed |
| CN-111527636-B | Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same | 中央硝子株式会社 | 2023-08-15 | — | — | CN | claimed |
| CN-116410239-A | Heteroatom-containing metallocene compound and preparation method and application thereof | 惠生(中国)投资有限公司 | 2023-07-11 | — | — | CN | claimed |
| US-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | claimed |
| CN-110818545-B | Method for preparing substituted aryl ketone by ketone arylation | 上海化工研究院有限公司 | 2022-12-09 | — | — | CN | claimed |
| CN-110922286-B | Asymmetric aryl substituted fulvene compound and preparation method and application thereof | 上海化工研究院有限公司 | 2022-08-16 | — | — | CN | claimed |
| CN-114716386-A | Novel exosome inhibitor and preparation method thereof | 北京和理咨询有限公司 | 2022-07-08 | — | — | CN | claimed |
| US-11186568-B2 | Additive for imparting ultraviolet absorbency and/or high refractive index to matrix, and resin member using same | MIYOSHI OIL & FAT CO., LTD. (JP) | 2021-11-30 | — | — | US | claimed |
| CN-107963982-B | Polyisocyanate composition and isocyanate polymer composition | 旭化成株式会社 | 2021-11-12 | — | — | CN | claimed |
| US-20200335823-A1 | Electrolyte Solution for Nonaqueous Electrolyte Batteries and Nonaqueous Electrolyte Battery Using Same | CENTRAL GLASS COMPANY, LIMITED (JP) | 2020-10-22 | — | — | US | claimed |
| EP-0223406-A1 | Pyrimidine derivatives and herbicidal uses thereof | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1987-05-27 | — | — | EP | claimed |
| EP-0203312-A2 | Phosphazene based functional fluid compositions | GE CHEMICALS, INC. (US) | 1986-12-03 | — | — | EP | claimed |
| EP-0111236-B1 | PYRIDONE DYESTUFFS | BASF Aktiengesellschaft (DE) | 1986-07-30 | — | — | EP | claimed |
| US-4603014-A | Thiazolinoazetidinone derivatives and process for the preparation of the same | OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) | 1986-07-29 | — | — | US | claimed |
| US-4601843-A | Phosphazene based functional fluid compositions | BORG-WARNER CHEMICALS, INC. (US) | 1986-07-22 | — | — | US | claimed |
| EP-0074170-B1 | CHROMAN COMPOUNDS, PROCESS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) | 1985-10-16 | — | — | EP | claimed |
| EP-0111236-A1 | Pyridone dyestuffs | BASF Aktiengesellschaft (DE) | 1984-06-20 | — | — | EP | claimed |
| US-4310459-A | Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters | BRISTOL-MYERS COMPANY (US) | 1982-01-12 | — | — | US | claimed |
| US-4232151-A | ANTIBIOTICS | SHIONOGI & CO., LTD. (JP) | 1980-11-04 | — | — | US | claimed |
| US-4001280-A | ANTIALLERGENS | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1977-01-04 | — | — | US | claimed |