⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9346141 | 1.00 | — | — | |
| SCHEMBL6705836 | 1.00 | — | — | |
| SCHEMBL7065528 | 1.00 | — | — | |
| SCHEMBL5902150 | 1.00 | — | — | |
| SCHEMBL2043596 | 1.00 | — | — | |
| SCHEMBL547054 | 1.00 | — | — | |
| SCHEMBL11103581 | 0.89 | — | — | |
| SCHEMBL9725008 | 0.88 | — | — | |
| SCHEMBL9475120 | 0.85 | — | — | |
| SCHEMBL9712160 | 0.82 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929538-A1 | O?2 -ARYLATED OR O?2 -GLYCOSYLATED 1-SUBSTITUTED DIAZEN-1-IUM-1,2-DIOLATES AND O?2 -SUBSTITUTED 1- (2-CARBOXYLATO)PYRROLIDIN-1-YL]DIAZEN-1-IUM-1,2-DIOLATES | THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998013358-A1 | O2-ARYLATED OR O2-GLYCOSYLATED 1-SUBSTITUTED DIAZEN-1-IUM-1,2-DIOLATES AND O2-SUBSTITUTED 1-[(2-CARBOXYLATO)PYRROLIDIN-1-YL]DIAZEN-1-IUM-1,2-DIOLATES | THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-04-02 | — | — | WO | disclosed |
| EP-0390783-A1 | METHOD FOR IMPROVING THE FEED CONVERSION EFFICIENCY OF MEAT-PRODUCING ANIMALS BY ORAL ADMINISTRATION OF 2-DEOXY-D-HEXOSE | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1990-10-10 | — | — | EP | disclosed |
| WO-1989002224-A1 | METHOD FOR IMPROVING THE FEED CONVERSION EFFICIENCY OF MEAT-PRODUCING ANIMALS BY ORAL ADMINISTRATION OF 2-DEOXY-D-HEXOSE | EASTMAN KODAK COMPANY (US) | 1989-03-23 | — | — | WO | disclosed |
| EP-0142094-B1 | METHOD FOR THE PREPARATION OF ACYLATED SUGARS CONTAINING AN ISOTHIOCYANATE RADICAL LINKED TO POSITION 1 OF THE GLYCOSE | BAYER AG (DE) | 1988-06-29 | — | — | EP | disclosed |
| US-4600771-A | Process for the preparation of acylated sugars with a glycosidically bonded isothiocyanate group | BAYER AKTIENGESELLSCHAFT (DE) | 1986-07-15 | — | — | US | disclosed |
| EP-0142094-A2 | Method for the preparation of acylated sugars containing an isothiocyanate radical linked to position 1 of the glycose | BAYER AG (DE) | 1985-05-22 | — | — | EP | disclosed |