⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7768338 | 0.71 | — | — | |
| SCHEMBL11231245 | 0.67 | — | — | |
| SCHEMBL27949663 | 0.67 | — | — | |
| SCHEMBL7086182 | 0.65 | — | — | |
| SCHEMBL5066061 | 0.61 | — | — | |
| SCHEMBL25438352 | 0.61 | — | — | |
| SCHEMBL8984298 | 0.61 | — | — | |
| SCHEMBL3189299 | 0.59 | — | — | |
| SCHEMBL6266780 | 0.59 | — | — | |
| SCHEMBL28167948 | 0.59 | HSD17B10 (0.31) | — |
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-20080071116-A1 | Modulators of Lysophosphatidic Acid (Lpa) Signaling and the Use Thereof | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-03-20 | — | — | US | disclosed |
| WO-2005082914-A2 | MODULATORS OF LYSOPHOSPHATIDIC ACID (LPA) SIGNALING | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2005-09-09 | — | — | WO | disclosed |
| US-4585762-A | ANTITUMOR AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-04-29 | — | — | US | disclosed |