⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2407439 | 0.79 | — | — | |
| SCHEMBL6760286 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL5606384 | 0.77 | — | — | |
| Methylene Chloride SCHEMBL28197405 | 0.77 | — | — | |
| SCHEMBL3715370 | 0.75 | — | — | |
| SCHEMBL28399014 | 0.75 | — | — | |
| Methylene Chloride SCHEMBL28027618 | 0.75 | — | — | |
| SCHEMBL7354918 | 0.73 | — | — | |
| SCHEMBL28878409 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL7863849 | 0.73 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3978171-A | PROCESS FOR THE PREPARATION OF DIENYLPHOSPHATES | HOFFMANN-LA ROCHE INC. (US) | 1976-08-31 | — | — | US | claimed |
| EP-0259140-B1 | CYANOGUANIDINE DERIVATIVE AND PROCESS FOR PREPARATION THEREOF | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1991-05-29 | — | — | EP | disclosed |
| US-4814500-A | ANTIULCER | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1989-03-21 | — | — | US | disclosed |
| EP-0125777-A1 | Process and intermediates for preparation of 4-acetyl-2-substituted-imidazoles | PFIZER INC. (US) | 1984-11-21 | — | — | EP | disclosed |
| US-4109086-A | 3,6-DIHYDRO-2H-1,2-OXAZINES | HOFFMANN-LA ROCHE INC. (US) | 1978-08-22 | — | — | US | disclosed |
| US-4088645-A | O,O-Dialkylphosphoryloxy-2,3,5,8-tetrahydro-1H-s-triazolo[1,2a]pyridazine-1,3-diones | HOFFMANN-LA ROCHE INC. (US) | 1978-05-09 | — | — | US | disclosed |
| US-4087488-A | Cyano-4-(0,0-dialkylphosphoryloxy)-cyclohex-4-enes | HOFFMAN-LA ROCHE INC. (US) | 1978-05-02 | — | — | US | disclosed |
| US-4077985-A | 4-(O,O-Diester phosphoryloxy)cyclohex-4-en-1,2-carboxylic anhydrides | HOFFMANN-LA ROCHE INC. (US) | 1978-03-07 | — | — | US | disclosed |
| US-4025584-A | 1-Acetyl-3(4)-(dihydrocarbylphosphoryloxy)-cyclohex-3-enes | HOFFMANN-LA ROCHE INC. (US) | 1977-05-24 | — | — | US | disclosed |
| US-3978171-A | PROCESS FOR THE PREPARATION OF DIENYLPHOSPHATES | HOFFMANN-LA ROCHE INC. (US) | 1976-08-31 | — | — | US | disclosed |
| US-3978172-A | PROCESS FOR THE PREPARATION OF DIENYLPHOSPHATES | HOFFMANN-LA ROCHE INC. (US) | 1976-08-31 | — | — | US | disclosed |
| US-3933948-A | Dienylphosphates | HOFFMANN-LA ROCHE INC. (US) | 1976-01-20 | — | — | US | disclosed |