⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1683248 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL27835916 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL17685560 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL27835901 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL3420515 | 1.00 | — | — | |
| SCHEMBL13519941 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL7218680 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL18501130 | 1.00 | — | — | |
| SCHEMBL54593 | 0.97 | — | — | |
| SCHEMBL11491558 | 0.97 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105601830-A | Photocuring material and application thereof | NINGBO INST MAT TECH & ENG CAS | 2016-05-25 | — | — | CN | claimed |
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | claimed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | claimed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | claimed |
| US-11834421-B2 | Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2023-12-05 | — | — | US | disclosed |
| CN-105585685-B | A kind of application of the aliphatic dissaving polymer of modification | 东莞理工学院 | 2018-07-31 | — | — | CN | disclosed |
| CN-108191887-A | A kind of synthetic method of dibenzo spiral shell [4,5] dodecane ketone derivatives | 黑龙江大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-104016959-B | A kind of protosappanin A and its derivatives chemical total synthesis method | 黑龙江大学 | 2017-07-04 | — | — | CN | disclosed |
| EP-2631257-B1 | METHOD FOR PRODUCING PLASTICS WITH 1,6-HEXANEDIOL WITH AN ALDEHYDE CONTENT OF LESS THAN 500PPM | BASF SE (DE) | 2016-07-20 | — | — | EP | disclosed |
| EP-2504377-B1 | METHOD FOR PRODUCING PLASTICS USING 1,6-HEXANEDIOL WITH AN ALDEHYDE CONTENT OF LESS THAN 500 PPM | BASF SE (DE) | 2013-09-04 | — | — | EP | disclosed |
| EP-2631257-A1 | Method for producing plastics with 1,6-hexanediol with an aldehyde content of less than 500PPM | BASF SE (DE) | 2013-08-28 | — | — | EP | disclosed |
| CN-102686649-A | Method for producing thermoplastic resin compositions | YOKOHAMA RUBBER CO LTD | 2012-09-19 | — | — | CN | disclosed |
| EP-2151457-A1 | Process to make a diblock copolymer having a monovinylaromatic polymer block | Total Petrochemicals France (FR) | 2010-02-10 | — | — | EP | disclosed |
| CN-1260779-A | Epsilon-caprolactam composition and by products | UNION CARBIDE CHEMICALS & PROD (US) | 2000-07-19 | — | — | CN | disclosed |
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | disclosed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | disclosed |
| EP-0880503-A1 | BALANOL ANALOGUES | Phytera Symbion ApS (DK) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1997029091-A1 | BALANOL ANALOGUES | PHYTERA SYMBION APS (DK) | 1997-08-14 | — | — | WO | disclosed |
| EP-0375404-A2 | Heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-27 | — | — | EP | disclosed |