⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8207662 | 0.97 | — | — | |
| SCHEMBL1345692 | 0.80 | — | — | |
| SCHEMBL27256232 | 0.78 | — | — | |
| SCHEMBL5201379 | 0.76 | — | — | |
| SCHEMBL1315582 | 0.76 | — | — | |
| SCHEMBL4198593 | 0.76 | — | — | |
| SCHEMBL23130303 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL24667370 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL1603583 | 0.74 | — | — | |
| SCHEMBL24196133 | 0.74 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1028942-A2 | DIPEPTIDE NITRILES | Novartis AG (CH) | 2000-08-23 | — | — | EP | disclosed |
| US-5986126-A | CARBONYLATION AND REDUCTION IN THE PRESENCE OF GROUP VIII ELEMENT HYDROFORMYLATION CATALYSTS TO PRODUCE FORMYLVALERONITRILE, REACTION WITH AMMONIA AND HYDROGEN TO FORM HEXAMETHYLENEDIAMINE AND/OR 6-AMINOCAPRONITRILE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-11-16 | — | — | US | disclosed |
| WO-1999024460-A2 | DIPEPTIDE NITRILES | NOVARTIS AG (CH) | 1999-05-20 | — | — | WO | disclosed |