⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL117779 | 0.75 | — | — | |
| SCHEMBL1305942 | 0.73 | — | — | |
| SCHEMBL27786415 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28418701 | 0.73 | — | — | |
| SCHEMBL1963425 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL8719931 | 0.72 | — | — | |
| SCHEMBL5675181 | 0.69 | — | — | |
| Ocimene SCHEMBL83330 | 0.69 | TSHR (0.41) | — | |
| Ocimene SCHEMBL23589 | 0.69 | TSHR (0.41) | — | |
| Ocimene SCHEMBL15011309 | 0.69 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6803393-B2 | COMPRISING AN ISOCYANATE-REACTIVE BINDER COMPONENT COMPRISING AT LEAST ONE UNSATURATED POLYESTER WHOSE MOLECULE CONTAINS ON AVERAGE AT LEAST ONE GROUP THAT CAN BE ACTIVATED WITH ACTINIC RADIATION | BASF COATINGS AG (DE) | 2004-10-12 | — | — | US | claimed |
| US-4347181-A | Intermediates for producing bicyclic β-lactam-antibiotics | BEECHAM GROUP LIMITED (GB) | 1982-08-31 | — | — | US | claimed |
| EP-0002564-B1 | DERIVATIVES OF 7-OXO-1-AZABICYCLO(3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES | BEECHAM GROUP PLC (GB) | 1984-06-20 | — | — | EP | disclosed |
| US-4347181-A | Intermediates for producing bicyclic β-lactam-antibiotics | BEECHAM GROUP LIMITED (GB) | 1982-08-31 | — | — | US | disclosed |
| US-4289696-A | BETA-LACTAMASE INHIBITORY AGENTS WHICH ENHANCE ACTIVITY OF A PENICICILLIN OR CEPHALOSPORIN | BEECHAM GROUP LIMITED (GB) | 1981-09-15 | — | — | US | disclosed |
| EP-0002564-A1 | Derivatives of 7-oxo-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid, their preparation, pharmaceutical compositions containing them and intermediates | BEECHAM GROUP PLC (GB) | 1979-06-27 | — | — | EP | disclosed |