⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1715335 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1716006 | 0.94 | — | — | |
| SCHEMBL1715570 | 0.86 | — | — | |
| SCHEMBL1715770 | 0.83 | NFE2L2 (0.47) | — | |
| SCHEMBL17577931 | 0.83 | NFE2L2 (0.47) | — | |
| SCHEMBL16623023 | 0.79 | IDO1 (0.39) | — | |
| SCHEMBL2568324 | 0.79 | IDO1 (0.39) | — | |
| SCHEMBL15268260 | 0.76 | NCF1 (0.52) | — | |
| SCHEMBL6387627 | 0.71 | HTR2A (0.33) | — | |
| SCHEMBL13573507 | 0.71 | — | — |
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-5610195-A | ANTITUMOR AGENTS | CIBA-GEIGY CORPORATION (US) | 1997-03-11 | — | — | US | claimed |
| EP-0644873-A1 | ORNITHINE DECARBOXYLASE INHIBITING BRANCHED AMINOOXY AMINO ALKANE DERIVATIVES. | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | claimed |
| WO-1994024094-A1 | ORNITHINE DECARBOXYLASE INHIBITING BRANCHED AMINOOXY AMINO ALKANE DERIVATIVES | CIBA-GEIGY AG (CH) | 1994-10-27 | — | — | WO | claimed |