⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10037219 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7932369 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8678361 | 0.82 | — | — | |
| SCHEMBL12108450 | 0.80 | CYP1A2 (0.39) | — | |
| SCHEMBL13197230 | 0.80 | CYP1A2 (0.39) | — | |
| SCHEMBL24677731 | 0.75 | BRD4 (0.38) | — | |
| SCHEMBL3457272 | 0.75 | — | — | |
| SCHEMBL7346021 | 0.75 | — | — | |
| SCHEMBL12765090 | 0.75 | — | — | |
| SCHEMBL21515922 | 0.75 | ATM (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129547-B2 | Anticoagulation of human blood ex vivo | HELLSTERN PETER (DE) | 2012-03-06 | — | — | US | disclosed |
| US-8129547-B2 | Anticoagulation of human blood ex vivo | HELLSTERN PETER (DE) | 2012-03-06 | — | — | US | disclosed |
| US-20100280412-A1 | Anticoagulation Of Human Blood Ex Vivo | HELLSTERN PETER | 2010-11-04 | — | — | US | disclosed |
| US-20100280412-A1 | Anticoagulation Of Human Blood Ex Vivo | HELLSTERN PETER | 2010-11-04 | — | — | US | disclosed |