⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29964022 | 0.98 | — | — | |
| SCHEMBL536225 | 0.77 | — | — | |
| SCHEMBL2489518 | 0.76 | — | — | |
| SCHEMBL194206 | 0.76 | — | — | |
| SCHEMBL1777624 | 0.76 | — | — | |
| SCHEMBL11185621 | 0.73 | — | — | |
| SCHEMBL10336041 | 0.72 | — | — | |
| SCHEMBL10356169 | 0.71 | MAOA (0.37) | — | |
| SCHEMBL3678724 | 0.71 | — | — | |
| SCHEMBL7172295 | 0.71 | MAOA (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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945540-A | Polymers functionalized with heterocyclic nitrile compounds | BRIDGESTONE CORP | 2015-09-30 | — | — | CN | claimed |
| CN-101874044-A | Polymers functionalized with heterocyclic nitrile compounds | BRIDGESTONE CORP | 2010-10-27 | — | — | CN | claimed |
| US-5874554-A | DISPENSING A MIXTURE OF ACETONITRILE WITH A STABILIZING CO-SOLVENT WHICH IS AN ORGANIC SOLVENT HAVING A BOILING POINT OR FLASH POINT GREATER THAN ABOUT 100.DEGREE. C., AND IS MISCIBLE WITH ACETONITRILE | INCYTE PHARMACEUTICALS, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0527186-A4 | — | UNIV ILLINOIS (US) | 1995-01-18 | — | — | EP | claimed |
| EP-0527186-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | The Board of Trustees for the University of Illinois (US) | 1993-02-17 | — | — | EP | claimed |
| WO-1991016820-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1991-11-14 | — | — | WO | claimed |
| EP-0079623-B1 | PROCESS FOR THE PREPARATION OF 1H-PYRROLE-2-ACETIC ESTERS | RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) | 1985-08-21 | — | — | EP | claimed |
| US-4493935-A | SAPONIFICATION IH-PYRROL-2-ACETONITRILE (OR-ACETAMIDE), THEN 7AR-) | RUTGERSWERKE AKTIENGESELLSCHAFT (DE) | 1985-01-15 | — | — | US | claimed |
| EP-0079623-A2 | Process for the preparation of 1H-pyrrole-2-acetic esters | RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) | 1983-05-25 | — | — | EP | claimed |
| US-4111954-A | Preparation of 1-methylpyrrole-2-acetonitrile | MCNEIL LABORATORIES, INCORPORATED (US) | 1978-09-05 | — | — | US | claimed |
| US-3957818-A | PREPARATION OF PYRROLE-2-ACETIC ACID DERIVATIVES | MCNEIL LABORATORIES, INCORPORATED (US) | 1976-05-18 | — | — | US | claimed |
| JP-61165375-A | — | — | None | — | — | JP | disclosed |
| CN-112105603-B | Sulfonyl diazoles and N- (fluorosulfonyl) oxazoles and methods of making the same | 特里纳普克公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-112142763-B | Pyrazolopyrimidine compound, and preparation method and application thereof | 上海医药集团股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-111320633-B | Pyrrole/imidazo six-membered heteroaromatic ring compound and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2022-09-27 | — | — | CN | disclosed |
| US-4238396-A | REACTING THE 5-CYANO DERIVATIVE WITH A GRIGNARD REAGENT FOLLOWED BY HYDROLYSIS TO OBTAIN THE 5-ACYL | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1980-12-09 | — | — | US | disclosed |
| US-4187230-A | Preparation of 5-aroyl-pyrrole compounds | ETHYL CORPORATION (US) | 1980-02-05 | — | — | US | disclosed |
| US-4048191-A | Halo-substituted 1-loweralkyl-5-aroylpyrrole-2-acetic acid compounds | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-09-13 | — | — | US | disclosed |
| US-3957818-A | PREPARATION OF PYRROLE-2-ACETIC ACID DERIVATIVES | MCNEIL LABORATORIES, INCORPORATED (US) | 1976-05-18 | — | — | US | disclosed |
| US-3952012-A | MULTISTAGE | MCNEIL LABORATORIES, INCORPORATED (US) | 1976-04-20 | — | — | US | disclosed |