⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11696143 | 0.87 | — | — | |
| SCHEMBL9000925 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL2227126 | 0.80 | POLB (0.30) | — | |
| SCHEMBL9740057 | 0.78 | KCNH2 (0.33) | — | |
| SCHEMBL9572485 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL5160584 | 0.76 | — | — | |
| SCHEMBL11485093 | 0.72 | THRB (0.30) | — | |
| SCHEMBL9572457 | 0.72 | — | — | |
| SCHEMBL9000828 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL12076205 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0220923-B1 | Dipeptides and process | GRACE W R & CO (US) | 1994-04-27 | — | — | EP | disclosed |
| EP-0574028-A1 | Dipeptide analogs of aspertame and process to prepare them as well as a new preparation of aspertame | HAMPSHIRE CHEMICAL CORP. (US) | 1993-12-15 | — | — | EP | disclosed |
| US-4873359-A | Process for preparing as partyl-phenylalanine dipeptides | W. R. GRACE & CO. - CONN. (US) | 1989-10-10 | — | — | US | disclosed |
| US-4810817-A | ARTIFICIAL SWEETENERS | W. R. GRACE & CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4710583-A | ENZYMATIC COUPLING OF PHENYLSERINE WITH ASPARTIC ACID; HYDROGENATION | W. R. GRACE & CO. (US) | 1987-12-01 | — | — | US | disclosed |
| EP-0220923-A2 | Dipeptides and process | W.R. Grace & Co.-Conn. (US) | 1987-05-06 | — | — | EP | disclosed |