⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27329500 | 1.00 | CYP2A6 (1.00) | — | |
| P-Xylene SCHEMBL3926102 | 1.00 | CYP2A6 (1.00) | — | |
| SCHEMBL28089251 | 0.97 | CYP2A6 (0.94) | — | |
| Cyanide SCHEMBL6561699 | 0.94 | CYP2A6 (0.89) | — | |
| SCHEMBL16104527 | 0.92 | CYP2A6 (0.84) | — | |
| Water SCHEMBL28512959 | 0.92 | CYP2A6 (0.84) | — | |
| SCHEMBL12377032 | 0.92 | CYP2A6 (0.84) | — | |
| SCHEMBL91813 | 0.92 | CYP2A6 (0.84) | — | |
| Benzonitrile SCHEMBL2153877 | 0.89 | ALDH1A1 (0.80) | — | |
| Trimethylammonium SCHEMBL22264992 | 0.89 | CYP2A6 (0.80) | — |
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 7821 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-121735989-B | Method for catalyzing hydroboration reaction of nitrile compound | WEIFANG UNIVERSITY (CN) | 2026-05-26 | — | — | CN | claimed |
| CN-122036615-A | Indazole hydrazide compound and preparation method and application thereof | 南京农业大学 | 2026-05-15 | — | — | CN | claimed |
| CN-122010775-A | Method for preparing 4-cyano benzyl bromide by continuous flow photocatalysis | 安徽大学 | 2026-05-12 | — | — | CN | claimed |
| EP-4718563-A1 | SODIUM-ION BATTERY AND ELECTRICAL DEVICE | Huawei Technologies Co., Ltd. (CN) | 2026-04-01 | — | — | EP | claimed |
| US-20260005305-A1 | BATTERY | ZHUHAI COSMX BATTERY CO., LTD. (CN) | 2026-01-01 | — | — | US | claimed |
| US-20260002924-A1 | METHOD FOR SELECTING ESTER FUNCTIONAL GROUP-CONTAINING POLYMERS FROM MIXTURE OF ESTER FUNCTIONAL GROUP-CONTAINING POLYMERS AND OTHER TYPES OF POLYMERS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2026-01-01 | — | — | US | claimed |
| EP-4644365-A1 | METHOD FOR PRODUCING PHTHALONITRILE AND METHOD FOR PURIFYING PHTHALONITRILE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2025-11-05 | — | — | EP | claimed |
| US-12362388-B2 | Electrochemical apparatus, preparation method therefor, and electronic apparatus | NINGDE AMPEREX TECHNOLOGY LIMITED (CN) | 2025-07-15 | — | — | US | claimed |
| CN-120189958-A | Vanadium-phosphorus composite oxide material, preparation method and application | 中南民族大学 | 2025-06-24 | — | — | CN | claimed |
| CN-120189936-A | Vanadium-chromium composite oxide material, preparation method and application | 中南民族大学 | 2025-06-24 | — | — | CN | claimed |
| EP-0123070-B1 | APPLICATION OF AMBIENT TEMPERATURE CURED POLYMERS OF PREPOLYMERS TO A CURED ELASTOMER | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1989-05-03 | — | — | EP | claimed |
| US-4521614-A | Carbonylation of monoolefins | RHONE-POULENC CHIMIE DE BASE (FR) | 1985-06-04 | — | — | US | claimed |
| US-4390706-A | Process for the recovery of pure nitriles | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1983-06-28 | — | — | US | claimed |
| US-4238553-A | Electrochemical storage cell | BROWN, BOVERI & CIE AKTIENGESELLSCHAFT (DE) | 1980-12-09 | — | — | US | claimed |
| US-4116999-A | RECOVERY OF TEREPHTHALONITRILE | THE LUMMUS COMPANY (US) | 1978-09-26 | — | — | US | claimed |
| US-3984452-A | Process for the preparation of a p,p'-dicyanobibenzyl and a m,m'-dicyanobibenzyl | AKZONA INCORPORATED (US) | 1976-10-05 | — | — | US | claimed |
| US-3972876-A | Process for the preparation of symmetrical and unsymmetrical azines and mixtures thereof | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1976-08-03 | — | — | US | claimed |
| US-3959344-A | POLYMERIZATION OF HYDROGEN CYANIDE IN A NITRILE SOLVENT | NIPPON CHEMICALS CO., LTD. (JA) | 1976-05-25 | — | — | US | claimed |
| US-3948968-A | COMPLEXING WITH PYRIDINES OR QUINOLINES, REACTION WITH AMMONIA | MARATHON OIL COMPANY (US) | 1976-04-06 | — | — | US | claimed |
| US-3932402-A | Preparation of sym-triazines by trimerization of nitriles in trifluoromethanesulfonic acid | PHILLIPS PETROLEUM COMPANY (US) | 1976-01-13 | — | — | US | claimed |