⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28422692 | 0.88 | — | — | |
| SCHEMBL301833 | 0.80 | TSHR (0.35) | — | |
| Acetic Acid SCHEMBL30588900 | 0.80 | CA1 (0.36) | — | |
| SCHEMBL2349410 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL700161 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL2931479 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL294768 | 0.74 | — | — | |
| Iodide SCHEMBL2827488 | 0.74 | — | — | |
| SCHEMBL300005 | 0.74 | — | — | |
| Bromide SCHEMBL2830437 | 0.74 | — | — |
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 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402375-B | Formation of alpha, beta-unsaturated carboxylic acids and salts thereof from metal lactones and anionic polyelectrolytes | 切弗朗菲利浦化学公司 | 2024-04-02 | — | — | CN | claimed |
| CN-116003927-B | Butyl rubber capable of being repeatedly processed and preparation method thereof | 山东泰瑞丰新材料有限公司 | 2023-08-01 | — | — | CN | claimed |
| CN-116003927-A | Butyl rubber capable of being repeatedly processed and preparation method thereof | 山东泰瑞丰新材料有限公司 | 2023-04-25 | — | — | CN | claimed |
| CN-113402375-A | Formation of alpha, beta-unsaturated carboxylic acids and salts thereof from metallolactones and anionic polyelectrolytes | 切弗朗菲利浦化学公司 | 2021-09-17 | — | — | CN | claimed |
| CN-111518145-A | Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof | 荆楚理工学院 | 2020-08-11 | — | — | CN | claimed |
| CN-102531890-A | Method for preparing organic carboxylate from olefin through hydroesterification | LANZHOU CHEM PHYS INST | 2012-07-04 | — | — | CN | claimed |
| CN-100354255-C | Process for the carbonylation of pentenenitriles | SHELL INT RESEARCH (NL) | 2007-12-12 | — | — | CN | claimed |
| CN-1531541-A | Rhodium and iridium complexes | �����л��뵼������˾ | 2004-09-22 | — | — | CN | claimed |
| CN-1422248-A | Process for the carbonylation of pentenenitrile | SHELL INT RESEARCH (NL) | 2003-06-04 | — | — | CN | claimed |
| US-12492281-B2 | Polyisocyanurate materials as electrical potting compounds | COVESTRO DEUTSCHLAND AG (DE) | 2025-12-09 | — | — | US | disclosed |
| CN-113631545-B | Polyisocyanurate materials as electrical potting compounds | 科思创德国股份有限公司 | 2025-01-07 | — | — | CN | disclosed |
| CN-118176175-A | Method for producing perfluoroalkyl group-containing aromatic compound | 大金工业株式会社 | 2024-06-11 | — | — | CN | disclosed |
| CN-113402375-B | Formation of alpha, beta-unsaturated carboxylic acids and salts thereof from metal lactones and anionic polyelectrolytes | 切弗朗菲利浦化学公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-117529465-A | Process for synthesizing propargyl alcohol by reacting formaldehyde with acetylene in the presence of a homogeneous copper catalyst | 巴斯夫欧洲公司 | 2024-02-06 | — | — | CN | disclosed |
| US-5373071-A | Polymerization of acetylenes | SHELL OIL COMPANY (US) | 1994-12-13 | — | — | US | disclosed |
| CN-1082532-A | The preparation method of alkane pairs acid derivative | SHELL INT RESEARCH (NL) | 1994-02-23 | — | — | CN | disclosed |
| EP-0576091-A2 | Polymerization of acetylenes | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-12-29 | — | — | EP | disclosed |
| CN-1069960-A | The preparation method of alcohols | SHELL INT RESEARCH (NL) | 1993-03-17 | — | — | CN | disclosed |
| US-4595701-A | Reacting carbon monoxide and hydrogen in liquid phase in the presence of a rhodium and trialkylphosphine catalyst | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1986-06-17 | — | — | US | disclosed |
| US-4323698-A | COORDINATION COMPOUNDS OF ION EXCHANGE RESINS | MOBIL OIL CORPORATION (US) | 1982-04-06 | — | — | US | disclosed |