⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29364070 | 1.00 | — | — | |
| SCHEMBL31057538 | 0.97 | ACHE (0.57) | — | |
| SCHEMBL28265755 | 0.97 | ACHE (0.57) | — | |
| Acetic Acid SCHEMBL27685692 | 0.86 | ACHE (0.46) | — | |
| SCHEMBL254224 | 0.84 | — | — | |
| Phenol SCHEMBL28222945 | 0.84 | ACHE (0.50) | — | |
| Bromide SCHEMBL28030865 | 0.81 | ACHE (0.50) | — | |
| SCHEMBL9861277 | 0.81 | ACHE (0.52) | — | |
| Nitrogen SCHEMBL10700884 | 0.79 | ACHE (0.48) | — | |
| SCHEMBL23052800 | 0.78 | ACHE (0.54) | — |
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 1910 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118591522-A | Process for producing fluorine-containing phthalic acid derivative and composition | 大金工业株式会社 | 2024-09-03 | — | — | CN | claimed |
| US-12027670-B2 | Non-aqueous electrolyte solution and lithium secondary battery including the same | LG ENERGY SOLUTION, LTD. (KR) | 2024-07-02 | — | — | US | claimed |
| EP-3315579-B1 | SURFACE TREATMENT AGENT INCLUDING PERFLUORO(POLY)ETHER GROUP-CONTAINING SILANE COMPOUND | DAIKIN IND LTD (JP) | 2024-05-01 | — | — | EP | claimed |
| US-11881558-B2 | Electrolytes for lithium-containing battery cells | APPLE INC. (US) | 2024-01-23 | — | — | US | claimed |
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | claimed |
| CN-111684643-B | Nonaqueous electrolyte solution and lithium secondary battery comprising same | 株式会社LG新能源 | 2023-07-07 | — | — | CN | claimed |
| US-20220396533-A1 | METHOD FOR PREPARING DEUTERATED ORGANIC COMPOUNDS | ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) | 2022-12-15 | — | — | US | claimed |
| CN-115403435-A | Process for preparing deuterated organic compounds | 罗门哈斯电子材料韩国有限公司 | 2022-11-29 | — | — | CN | claimed |
| CN-110776441-B | Synthesis method of 4-fluoro-2, 3-dimethylphenylmethylsulfonate | 西安淳甄新材料有限公司 | 2022-03-22 | — | — | CN | claimed |
| EP-3692101-B1 | BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES | ALFA INSTR S R L (IT) | 2022-01-12 | — | — | EP | claimed |
| WO-2002072714-A1 | SOLUTIONS AND DISPERSIONS OF ORGANIC SEMICONDUCTORS | COVION ORGANIC SEMICONDUCTORS GMBH (DE) | 2002-09-19 | — | — | WO | claimed |
| EP-1240130-A1 | METHOD FOR OXIDATION OF XYLENE DERIVATIVES | GENERAL ELECTRIC COMPANY (US) | 2002-09-18 | — | — | EP | claimed |
| EP-1235781-A1 | METHOD FOR OXIDATION OF XYLENE DERIVATIVES | GENERAL ELECTRIC COMPANY (US) | 2002-09-04 | — | — | EP | claimed |
| EP-1235782-A1 | METHOD FOR OXIDATION OF XYLENE DERIVATIVES | GENERAL ELECTRIC COMPANY (US) | 2002-09-04 | — | — | EP | claimed |
| US-6399790-B1 | USING METAL CATALYST | GENERAL ELECTRIC COMPANY | 2002-06-04 | — | — | US | claimed |
| WO-2002020447-A1 | METHOD OF PRODUCING FLUORINATED AND CHLORINATED BENZALDEHYDES AND COMPOSITIONS THEREOF | MILLIKEN & COMPANY (US) | 2002-03-14 | — | — | WO | claimed |
| US-6300525-B1 | CONTACTING SUBSTITUTED BENZENE IN CARBON MONOXIDE ATMOSPHERE HAVING SPECIFIED PRESSURE IN PRESENCE OF METAL HALIDE AND HYDROHALIC ACID CATALYST AND AT SPECIFIED TEMPERATURE | MILLIKEN & COMPANY | 2001-10-09 | — | — | US | claimed |
| WO-2001038281-A1 | METHOD FOR OXIDATION OF XYLENE DERIVATIVES | GENERAL ELECTRIC COMPANY (US) | 2001-05-31 | — | — | WO | claimed |
| WO-2001038280-A1 | METHOD FOR OXIDATION OF XYLENE DERIVATIVES | GENERAL ELECTRIC COMPANY (US) | 2001-05-31 | — | — | WO | claimed |
| WO-2001038282-A1 | METHOD FOR OXIDATION OF XYLENE DERIVATIVES | GENERAL ELECTRIC COMPANY (US) | 2001-05-31 | — | — | WO | claimed |