⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17253449 | 0.91 | JAK2 (0.31) | — | |
| SCHEMBL17252249 | 0.91 | JAK2 (0.31) | — | |
| SCHEMBL131878 | 0.91 | — | — | |
| SCHEMBL10107071 | 0.91 | JAK2 (0.31) | — | |
| SCHEMBL19594665 | 0.90 | — | — | |
| SCHEMBL5552795 | 0.88 | — | — | |
| SCHEMBL10316171 | 0.87 | CYP2D6 (0.31) | — | |
| SCHEMBL22454266 | 0.86 | PDE1B (0.34) | — | |
| SCHEMBL22454265 | 0.85 | CTSL (0.31) | — | |
| SCHEMBL17896296 | 0.84 | TSHR (0.50) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0656335-B1 | Process for the production of hydroxy compounds by hydrogenation of oxygenates | EASTMAN CHEM CO (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0656340-B1 | Process for the production of hydroxy compounds by hydrogenation of oxygenates | EASTMAN CHEM CO (US) | 1998-04-22 | — | — | EP | disclosed |
| EP-0656339-B1 | Process for the production of cyclohexanedimethanol, with preponderance of the trans-isomer | EASTMAN CHEM CO (US) | 1998-04-22 | — | — | EP | disclosed |
| EP-0656334-B1 | Process for the production of cyclohexanedimethanol, with preponderance of the trans-isomer | EASTMAN CHEM CO (US) | 1998-04-22 | — | — | EP | disclosed |
| EP-0656341-B1 | Process for the production of cyclohexanedimethanol | EASTMAN CHEM CO (US) | 1998-04-22 | — | — | EP | disclosed |
| EP-0656338-B1 | Vapour phase hydrogenation of esters or lactones to hydroxy compounds | EASTMAN CHEM CO (US) | 1997-12-03 | — | — | EP | disclosed |
| EP-0656336-B1 | Process for the production of hydroxy compounds by hydrogenation of oxygenates | EASTMAN CHEM CO (US) | 1997-08-20 | — | — | EP | disclosed |
| EP-0656337-B1 | Process for the production of 1,4-cyclohexanedimethanol | EASTMAN CHEM CO (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0656334-A1 | Process for the production of cydohexanedimethanol, with preponderance of the trans-isomer | EASTMAN CHEMICAL COMPANY (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0656337-A1 | Process for the production of 1,4-cydohexanedimethanol | EASTMAN CHEMICAL COMPANY (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0656335-A1 | Process for the production of hydroxy compounds by hydrogenation of oxygenates | EASTMAN CHEMICAL COMPANY (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0656341-A1 | Process for the production of cydohexanedimethanol | EASTMAN CHEMICAL COMPANY (US) | 1995-06-07 | — | — | EP | disclosed |
| US-5414159-A | Hydrogenation of dialkyl cyclohexanedicarboxylate to form cyclohexanedimethanol | EASTMAN CHEMICAL COMPANY (US) | 1995-05-09 | — | — | US | disclosed |
| US-5406004-A | From ester using a copper catalyst | EASTMAN CHEMICAL COMPANY (US) | 1995-04-11 | — | — | US | disclosed |
| US-5395990-A | Hydrogenation of esters and aldehydes using copper and/or Group VIII metal catalyst; by-product inhibition; hydroxylation | EASTMAN CHEMICAL COMPANY (US) | 1995-03-07 | — | — | US | disclosed |
| US-5395987-A | Hydrogenation of ester | EASTMAN CHEMICAL COMPANY (US) | 1995-03-07 | — | — | US | disclosed |
| US-5395986-A | Hydrogenation of dialkyl cyclohexanedicarboxylate using copper or group VIII compound catalysts; high trans configuration to cis ratio | EASTMAN CHEMICAL COMPANY (US) | 1995-03-07 | — | — | US | disclosed |
| US-5395991-A | Regeneration of hydrogenation catalyst | EASTMAN CHEMICAL COMPANY (US) | 1995-03-07 | — | — | US | disclosed |
| US-5387753-A | Catalytic hydrogenating vapor stream unsaturated esters, diesters or lactones in presence of coppor containing catalyst , reactivating the copper catalyst by a stream of hydrogen gas free of reactants | EASTMAN CHEMICAL COMPANY (US) | 1995-02-07 | — | — | US | disclosed |
| US-5387752-A | Catalytic hydrogenation of a dialkylcyclohexanedicarboxylate | EASTMAN CHEMICAL COMPANY (US) | 1995-02-07 | — | — | US | disclosed |