⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9602339 | 0.75 | ARG1 (0.32) | — | |
| SCHEMBL9603125 | 0.74 | ELANE (0.33) | — | |
| SCHEMBL9602835 | 0.72 | — | — | |
| SCHEMBL29912718 | 0.70 | ARG1 (0.37) | — | |
| SCHEMBL12449489 | 0.69 | ARG1 (0.39) | — | |
| SCHEMBL9601891 | 0.69 | ARG1 (0.42) | — | |
| SCHEMBL24524725 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL23555977 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL23555976 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL1679837 | 0.66 | TSHR (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5217963-A | Antiischemic, antiepileptic agent | CIBA-GEIGY CORPORATION (US) | 1993-06-08 | — | — | US | disclosed |
| US-4906621-A | Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade | CIBA-GEIGY CORPORATION (US) | 1990-03-06 | — | — | US | disclosed |
| US-4898854-A | NERVOUS SYSTEM DISORDERS | CIBA-GEIGY CORPORATION (US) | 1990-02-06 | — | — | US | disclosed |