⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10729290 | 0.83 | — | — | |
| SCHEMBL10729299 | 0.83 | — | — | |
| SCHEMBL9945313 | 0.78 | — | — | |
| SCHEMBL10723552 | 0.76 | PTGS2 (0.30) | — | |
| SCHEMBL10723564 | 0.76 | PTGS2 (0.30) | — | |
| SCHEMBL9635 | 0.75 | — | — | |
| Ajoene SCHEMBL1843901 | 0.74 | PTGS2 (0.46) | — | |
| Ajoene SCHEMBL3341704 | 0.74 | PTGS2 (0.46) | — | |
| (Z)-Ajoene SCHEMBL3305767 | 0.74 | PTGS2 (0.46) | — | |
| Ajoene SCHEMBL465526 | 0.74 | PTGS2 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120149940-A1 | Integrin Modulators and Methods for Their Use | BILLINGS PHARMACEUTICALS, INC. | 2012-06-14 | — | — | US | disclosed |
| US-20120149940-A1 | Integrin Modulators and Methods for Their Use | BILLINGS PHARMACEUTICALS, INC. | 2012-06-14 | — | — | US | disclosed |
| US-20100099917-A1 | Integrin modulators and methods for their use | BILLINGS PHARMACEUTICALS, INC. | 2010-04-22 | — | — | US | disclosed |
| US-20100099917-A1 | Integrin modulators and methods for their use | BILLINGS PHARMACEUTICALS, INC. | 2010-04-22 | — | — | US | disclosed |
| US-20080234388-A1 | Integrin Modulators and Methods for their Use | BILLINGS PHARMACEUTICALS, INC. | 2008-09-25 | — | — | US | disclosed |