⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL388497 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL28031350 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL1359872 | 0.78 | SOAT1 (0.43) | — | |
| SCHEMBL8724744 | 0.77 | — | — | |
| SCHEMBL11307781 | 0.76 | SOAT1 (0.64) | — | |
| SCHEMBL538238 | 0.75 | — | — | |
| Ethylene Glycol SCHEMBL11381651 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL9577849 | 0.73 | — | — | |
| SCHEMBL11709488 | 0.73 | CA12 (0.46) | — | |
| SCHEMBL10703864 | 0.73 | ALDH1A1 (0.41) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4056546-A | Hydrocarbonoxy-containing silicone fluids useful as hydraulic fluids | GENERAL ELECTRIC COMPANY (US) | 1977-11-01 | — | — | US | claimed |
| CN-109863629-A | Method for preparing positive electrode slurry for lithium secondary battery and positive electrode for lithium secondary battery obtained thereby | 株式会社LG化学 | 2019-06-07 | — | — | CN | disclosed |
| EP-0609058-B1 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO CO (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-5491167-A | INHIBITORS OF CHOLESTEROL BIOSYNTHESIS | SANKYO COMPANY, LIMITED (JP) | 1996-02-13 | — | — | US | disclosed |
| EP-0609058-A2 | Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses | SANKYO COMPANY LIMITED (JP) | 1994-08-03 | — | — | EP | disclosed |
| US-4340495-A | Alkyl siloxane alkoxy siloxane copolymeric hydraulic fluids | GENERAL ELECTRIC COMPANY (US) | 1982-07-20 | — | — | US | disclosed |
| US-4088493-A | FOR DYE DIFFUSION TRANSFER PROCESS | AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) | 1978-05-09 | — | — | US | disclosed |
| US-4056546-A | Hydrocarbonoxy-containing silicone fluids useful as hydraulic fluids | GENERAL ELECTRIC COMPANY (US) | 1977-11-01 | — | — | US | disclosed |
| US-4056546-A | Hydrocarbonoxy-containing silicone fluids useful as hydraulic fluids | GENERAL ELECTRIC COMPANY (US) | 1977-11-01 | — | — | US | disclosed |
| US-3984449-A | Hydrocarbonoxy-containing silicone fluids useful as hydraulic fluids | GENERAL ELECTRIC COMPANY (US) | 1976-10-05 | — | — | US | disclosed |
| US-3984449-A | Hydrocarbonoxy-containing silicone fluids useful as hydraulic fluids | GENERAL ELECTRIC COMPANY (US) | 1976-10-05 | — | — | US | disclosed |