⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8565158 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL384861 | 0.98 | GABRP (0.54) | — | |
| Hydrochloric Acid SCHEMBL384070 | 0.98 | GABRP (0.54) | — | |
| Trifluoroacetic Acid SCHEMBL9105443 | 0.88 | GABRP (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL9105431 | 0.88 | GABRP (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL9943571 | 0.88 | GABRP (0.45) | — | |
| SCHEMBL23849939 | 0.78 | — | — | |
| SCHEMBL10409045 | 0.78 | — | — | |
| SCHEMBL3122395 | 0.77 | ACHE (0.47) | — | |
| SCHEMBL5888752 | 0.76 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0718273-B1 | Ethyl 6-formyloxy-4-hexenoate | MERRELL PHARMA INC (US) | 1998-03-11 | — | — | EP | disclosed |
| EP-0546906-B1 | Novel process for preparing 4-amino-5-hexenoic acid | MERRELL PHARMA INC (US) | 1997-04-02 | — | — | EP | disclosed |
| EP-0718273-A1 | Ethyl 6-formyl-4-hexenoate | MERRELL PHARMACEUTICALS INC. (US) | 1996-06-26 | — | — | EP | disclosed |
| US-5512698-A | Ethyl 6-formyloxy-4-hexenoate | MERRELL PHARMACEUTICALS INC. (US) | 1996-04-30 | — | — | US | disclosed |
| US-5473099-A | Ethyl 4-trichloroacetamido-4-hexenoate | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-12-05 | — | — | US | disclosed |
| US-5440065-A | Process for preparing 4-amino-5-hexenoic acid | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-08-08 | — | — | US | disclosed |
| US-5380936-A | Thermal rearrangements | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-01-10 | — | — | US | disclosed |
| EP-0546230-A1 | Novel process for preparing 4-amino-5-hexenoic acid | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-16 | — | — | EP | disclosed |
| EP-0546906-A2 | Novel process for preparing 4-amino-5-hexenoic acid | MERRELL PHARMACEUTICALS INC. (US) | 1993-06-16 | — | — | EP | disclosed |