⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6143031 | 0.85 | TAAR1 (0.50) | — | |
| SCHEMBL23913867 | 0.78 | NOS2 (0.45) | — | |
| SCHEMBL252197 | 0.78 | NOS2 (0.45) | — | |
| SCHEMBL1653 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL774900 | 0.77 | — | — | |
| SCHEMBL15506263 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL19611522 | 0.75 | ALDH1A1 (0.52) | — | |
| Hydrogen Sulfide SCHEMBL5079696 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL17178869 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL1351803 | 0.75 | KDM4E (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
Appears in 3332 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-114671888-B | Organic compound, organic light-emitting element, display device, photoelectric conversion device, electronic device, illumination device, and exposure light source | 佳能株式会社 | 2024-05-03 | — | — | CN | claimed |
| US-20240124474-A1 | HER2 MUTATION INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2024-04-18 | — | — | US | claimed |
| CN-112094218-B | Synthesis method of pyrrole derivative | 湖北科技学院 | 2024-01-26 | — | — | CN | claimed |
| WO-2024005526-A1 | NOVEL COMPOUND AS NADPH OXIDASE 2 INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 동국대학교 산학협력단 | 2024-01-04 | — | — | WO | claimed |
| CN-111978198-B | Oletum pteroic acid derivative and preparation method and application thereof | 云南中医药大学 | 2023-10-27 | — | — | CN | claimed |
| CN-113563250-B | Tryptamine benzoate derivative and preparation and application thereof | 南华大学 | 2023-07-07 | — | — | CN | claimed |
| US-20230150924-A1 | NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND | CELLGENTEK CO., LTD. (KR) | 2023-05-18 | — | — | US | claimed |
| US-20230023851-A1 | HER2 MUTATION INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2023-01-26 | — | — | US | claimed |
| US-20220402897-A1 | CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2022-12-22 | — | — | US | claimed |
| EP-4019495-A1 | NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND | Cellgentek Co., Ltd (KR) | 2022-06-29 | — | — | EP | claimed |
| EP-0023569-A1 | Derivatives of carboxylic acids, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | claimed |
| US-4207320-A | FUNGICIDES | WARNER-LAMBERT COMPANY (US) | 1980-06-10 | — | — | US | claimed |
| US-4146627-A | AMINOALKYLIDEAMINO-1,4-DIHYDROPYRIDINES AND THEIR USE AS MEDICAMENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-03-27 | — | — | US | claimed |
| US-4110533-A | PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1978-08-29 | — | — | US | claimed |
| US-4066758-A | ANTITHROMBOTIC | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) | 1978-01-03 | — | — | US | claimed |
| US-4062963-A | N2 -naphthalenesulfonyl-L-arginine derivatives, and the pharmaceutically acceptable acid addition salts thereof | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) | 1977-12-13 | — | — | US | claimed |
| US-4049645-A | ANTITHROMBOTIC AGENTS | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) | 1977-09-20 | — | — | US | claimed |
| US-4029597-A | AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP | E. MERCK A. G. (DT) | 1977-06-14 | — | — | US | claimed |
| US-4029598-A | AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP | E. MERCK A. G. (DT) | 1977-06-14 | — | — | US | claimed |
| US-4016263-A | BACTERICIDES | BOEHRINGER INGELHEIM GMBH (DT) | 1977-04-05 | — | — | US | claimed |