⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23037266 | 0.75 | HSP90AA1 (0.33) | — | |
| SCHEMBL23037268 | 0.75 | HSP90AA1 (0.33) | — | |
| SCHEMBL8591170 | 0.71 | LOXL2 (0.50) | — | |
| SCHEMBL6159661 | 0.70 | — | — | |
| SCHEMBL10746552 | 0.70 | — | — | |
| SCHEMBL1257944 | 0.70 | HSP90AA1 (0.33) | — | |
| SCHEMBL6429020 | 0.70 | HSP90AA1 (0.33) | — | |
| SCHEMBL1247038 | 0.70 | — | — | |
| SCHEMBL4588569 | 0.69 | — | — | |
| SCHEMBL8703080 | 0.68 | ALDH1A1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6555676-B2 | Antitumor agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2003-04-29 | — | — | US | claimed |
| US-20020037873-A1 | Biologically active phosphotriester-type compounds | CENTRE NATIONAL DE LA RECHERCH SIENTIFIQUE | 2002-03-28 | — | — | US | claimed |
| US-5849905-A | Biologically active phosphotriester-type nucleosides and methods for preparing same | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1998-12-15 | — | — | US | claimed |
| US-5770725-A | USES NOVEL GROUP, CHARACTERIZED BY THE PRESENCE OF-S-S-AND/OR S-C=Z (Z=O OR S) ENZYME LABILE BONDS WHICH LEADS, AFTER ENZYMATIC ACTIVATION, TO THE FORMATION OF UNSTABLE INTERMEDIATE WHICH RELEASES MONOPHOSPHATE OR MONOPHOSPHONATE | CENTER NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1998-06-23 | — | — | US | claimed |
| WO-1998011121-A1 | BIOLOGICALLY ACTIVE PHOSPHOTRIESTER-TYPE COMPOUNDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1998-03-19 | — | — | WO | claimed |