⚠ 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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL10839178 | 1.00 | CYP2A6 (0.61) | — | |
| Water SCHEMBL15842032 | 0.96 | — | — | |
| SCHEMBL231632 | 0.96 | — | — | |
| Magnesium SCHEMBL30533117 | 0.96 | — | — | |
| Fluoride SCHEMBL2941684 | 0.96 | CYP2A6 (0.57) | — | |
| SCHEMBL11575659 | 0.96 | — | — | |
| SCHEMBL3869855 | 0.90 | ALDH1A1 (0.55) | — | |
| SCHEMBL28501382 | 0.87 | CYP2A6 (0.47) | — | |
| Chlorobenzene SCHEMBL8942435 | 0.87 | TSHR (0.65) | — | |
| Bromobenzene SCHEMBL9230442 | 0.87 | ALDH1A1 (0.65) | — |
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 5153 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 |
|---|---|---|---|---|---|---|---|
| US-20260015305-A1 | SEPARATING AROMATIC ISOMERS USING AQUEOUS SOLUTIONS OF CUCURBITURIL MACROCYCLES | UNIV KING ABDULLAH SCI & TECH (SA) | 2026-01-15 | — | — | US | claimed |
| CN-120061017-A | SiC fiber based on polycarbosilane raw material and production process thereof | 福建立亚化学有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-120004697-A | Preparation method of OrgVO material and application of OrgVO material as secondary battery anode material | 同济大学 | 2025-05-16 | — | — | CN | claimed |
| CN-114252515-B | Method for separating and detecting related substances in p-bromofluorobenzene | 广东东阳光药业股份有限公司 | 2025-03-14 | — | — | CN | claimed |
| CN-119350119-A | Preparation method and application of linear benzocyclobutene monomer with rigid ladder structure | 中国科学院化学研究所 | 2025-01-24 | — | — | CN | claimed |
| CN-119330924-A | Preparation method of alkyl pyran 3, 5-difluorobenzene | 石家庄市凯信电子材料有限公司 | 2025-01-21 | — | — | CN | claimed |
| EP-2817270-B1 | FUNCTIONALIZED POLYAMINES FOR CLAY MITIGATION | GCP APPLIED TECH INC (US) | 2024-12-18 | — | — | EP | claimed |
| CN-119080613-A | Synthesis method of photoelectric functional material 2- (4-fluorophenyl) propionic acid-2-propylene ester | 棓诺(苏州)新材料有限公司 | 2024-12-06 | — | — | CN | claimed |
| CN-118955262-A | Direct cross-coupling method of pyridine ester and aryl bromide | 南京工业大学 | 2024-11-15 | — | — | CN | claimed |
| CN-115959969-B | Synthesis method of 1, 4-dibromo-2, 5-diiodobenzene and homologs thereof | 安徽科技学院 | 2024-07-26 | — | — | CN | claimed |
| EP-0081384-B1 | PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC CARBOXYLATED COMPOUNDS | Montedison S.p.A. (IT) | 1986-04-02 | — | — | EP | claimed |
| US-4560723-A | THERMOPLASTIC TOUGHENER, SUSTAINER FOR IMPROVED RETENTION OF PEEL STRENGTH | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1985-12-24 | — | — | US | claimed |
| EP-0144178-A1 | Cyanoacrylate adhesive composition having sustained toughness | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1985-06-12 | — | — | EP | claimed |
| EP-0081384-A1 | Process for the preparation of aromatic or heteroaromatic carboxylated compounds | Montedison S.p.A. (IT) | 1983-06-15 | — | — | EP | claimed |
| US-4292462-A | INSULATORS-COOLANTS FOR TRANSFORMERS | RHONE-POULENC INDUSTRIES (FR) | 1981-09-29 | — | — | US | claimed |
| US-4232552-A | THERMOCHROMISM, DISPOSABLE THERMOMETERS | AKZONA INCORPORATED (US) | 1980-11-11 | — | — | US | claimed |
| US-4210610-A | CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES | GULF RESEARCH AND DEVELOPMENT COMPANY (US) | 1980-07-01 | — | — | US | claimed |
| US-4098826-A | SILVER CATALYZED OXIDATIVE DEHYDROGENATION OF METHANOL IN A HALOGEN GAS STREAM | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-04 | — | — | US | claimed |
| US-3946612-A | Temperature indicating compositions | BIO-MEDICAL SCIENCES, INC. (US) | 1976-03-30 | — | — | US | claimed |
| US-3933957-A | Process for producing shaped articles from an acetylenic polymer | GENERAL ELECTRIC COMPANY (US) | 1976-01-20 | — | — | US | claimed |