⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7101539 | 1.00 | — | — | |
| SCHEMBL3247701 | 0.78 | — | — | |
| SCHEMBL3247700 | 0.78 | — | — | |
| SCHEMBL13233298 | 0.77 | — | — | |
| SCHEMBL7157079 | 0.77 | — | — | |
| SCHEMBL2201860 | 0.76 | — | — | |
| SCHEMBL28396306 | 0.75 | GRIK1 (0.48) | — | |
| SCHEMBL3607498 | 0.74 | TSHR (0.56) | — | |
| SCHEMBL3607502 | 0.74 | TSHR (0.56) | — | |
| SCHEMBL20380044 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5717128-A | HEATING AN ESTER OF 2-HYDROXY-2-METHYL-3-BUTENOIC ACID WITH PHOSPHOROUS BROMIDE OR CHLORIDE; THEN WITH TRIALKYL ESTER OF PHOSPHOROUS ACID | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-10 | — | — | US | disclosed |
| EP-0132814-B1 | ESTER DERIVATIVE OF SUBSTITUTED ACETIC ACID AND PREPARING THE SAME | Kaken Pharmaceutical Co., Ltd. (JP) | 1988-12-21 | — | — | EP | disclosed |
| US-4603217-A | ANTIINFLAMMATORY AGENTS | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1986-07-29 | — | — | US | disclosed |
| EP-0132814-A1 | Ester derivative of substituted acetic acid and preparing the same | Kaken Pharmaceutical Co., Ltd. (JP) | 1985-02-13 | — | — | EP | disclosed |