⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7064654 | 0.89 | — | — | |
| SCHEMBL7064398 | 0.88 | LPAR3 (0.31) | — | |
| SCHEMBL7067316 | 0.86 | LPAR3 (0.32) | — | |
| SCHEMBL7064559 | 0.81 | — | — | |
| SCHEMBL7067214 | 0.79 | — | — | |
| SCHEMBL8020064 | 0.79 | — | — | |
| SCHEMBL17549740 | 0.79 | — | — | |
| SCHEMBL7067386 | 0.78 | LPAR3 (0.31) | — | |
| SCHEMBL20843600 | 0.76 | — | — | |
| SCHEMBL8428500 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0973844-B1 | COMPOUNDS AND PROCESS FOR CONTROLLING CONE TILT ANGLE IN MIXTURES OF SMECTIC LIQUID CRYSTAL COMPOUNDS | MINNESOTA MINING & MFG (US) | 2003-06-04 | — | — | EP | disclosed |
| US-5855812-A | ALIPHATIC FLUOROCARBON TERMINAL PORTION COMPRISING A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP AND AN ALKYLENE GROUP HAVING AT LEAST TWO CARBON ATOMS AND CONTAINING AT LEAST ONE CATENARY ETHER OXYGEN ATOM | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-01-05 | — | — | US | disclosed |