⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5337069 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL8655658 | 0.79 | — | — | |
| SCHEMBL12038312 | 0.79 | CYP3A4 (0.34) | — | |
| SCHEMBL3924420 | 0.77 | — | — | |
| SCHEMBL8089267 | 0.77 | CYP3A4 (0.30) | — | |
| SCHEMBL27791034 | 0.77 | LPAR3 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL29183576 | 0.77 | CYP3A4 (0.30) | — | |
| SCHEMBL15545754 | 0.77 | LPAR3 (0.40) | — | |
| SCHEMBL4756201 | 0.75 | — | — | |
| SCHEMBL11480345 | 0.75 | — | — |
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-8791056-B2 | Alkylphosphorofluoridothioates having low wear volume and methods for synthesizing and using same | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2014-07-29 | — | — | US | disclosed |
| US-20110319303-A1 | ALKYLPHOSPHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2011-12-29 | — | — | US | disclosed |
| WO-2011163592-A2 | ALKYLPHOSHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2011-12-29 | — | — | WO | disclosed |