⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28294378 | 0.81 | — | — | |
| Sulfuric Acid SCHEMBL11149992 | 0.77 | ADRA2A (0.35) | — | |
| SCHEMBL1020908 | 0.77 | NPC1 (0.43) | — | |
| SCHEMBL28872262 | 0.76 | CYP3A4 (0.42) | — | |
| SCHEMBL28559538 | 0.72 | CYP3A4 (0.36) | — | |
| SCHEMBL3608336 | 0.72 | — | — | |
| SCHEMBL7629026 | 0.71 | ADRA2A (0.50) | — | |
| SCHEMBL1060747 | 0.68 | — | — | |
| SCHEMBL19538200 | 0.67 | — | — | |
| SCHEMBL28701868 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101643549-B | Method of producing antistatic polyester film, antistatic polyester film produced thereby and uses of the antistatic polyester film | TORAY SAEHAN INC | 2012-11-21 | — | — | CN | claimed |
| CN-102821938-A | Flexible pipe having a diffusion barrier | EVONIK DEGUSSA GMBH | 2012-12-12 | — | — | CN | disclosed |
| CN-101643549-B | Method of producing antistatic polyester film, antistatic polyester film produced thereby and uses of the antistatic polyester film | TORAY SAEHAN INC | 2012-11-21 | — | — | CN | disclosed |
| CN-102733415-A | Polyamide-encapsulated structural steel pipe for offshore structures | EVONIK DEGUSSA GMBH | 2012-10-17 | — | — | CN | disclosed |
| CN-101481853-B | Composite materials and methods of making the same | ROHM & HAAS | 2011-09-07 | — | — | CN | disclosed |
| CN-101481853-A | Composite materials and methods of making the same | ROHM & HAAS (US) | 2009-07-15 | — | — | CN | disclosed |