⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6296953 | 0.75 | — | — | |
| SCHEMBL6293190 | 0.70 | — | — | |
| SCHEMBL28204270 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL6702961 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL20608171 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL11341766 | 0.66 | GGPS1 (0.34) | — | |
| SCHEMBL282710 | 0.65 | — | — | |
| SCHEMBL20535563 | 0.65 | — | — | |
| SCHEMBL673191 | 0.65 | — | — | |
| SCHEMBL7064576 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6296816-B1 | EXTRACTING AQUEOUS PHASE WITH ORGANIC EXTRACTION PHASE WHICH COMPRISES ORGANOPHOSPHOROUS COMPOUND TO PRODUCE ORGANIC PHASE CONTAINING TITANIUM AND SULFURIC ACID, REGENERATING AQUEOUS PHASE, WASHING WITH ORGANIC PHASE | MILLENNIUM INORGANIC CHEMICALS, S.A. (FR) | 2001-10-02 | — | — | US | disclosed |
| US-5006254-A | Extraction with halogenated beta-diketone | RHONE-POULENC CHIMIE (FR) | 1991-04-09 | — | — | US | disclosed |