⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2009621 | 0.76 | ADORA2A (0.45) | — | |
| SCHEMBL30175533 | 0.76 | ADORA2A (0.45) | — | |
| SCHEMBL29452981 | 0.75 | — | — | |
| Bromide SCHEMBL29767055 | 0.74 | ADORA2A (0.43) | — | |
| SCHEMBL291320 | 0.71 | — | — | |
| SCHEMBL2009616 | 0.71 | — | — | |
| SCHEMBL973036 | 0.71 | BCHE (0.32) | — | |
| SCHEMBL17378974 | 0.71 | HDAC8 (0.32) | — | |
| SCHEMBL1233375 | 0.71 | KDM4E (0.42) | — | |
| SCHEMBL30518204 | 0.71 | KDM4E (0.42) | — |
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-20100227798-A1 | USE OF THE STAUDINGER LIGATION IN IN VIVO ASSEMBLY OF A BIOLOGICALLY ACTIVE COMPOUND | KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) | 2010-09-09 | — | — | US | disclosed |
| CN-101410139-A | Use of the staudinger ligation in in vivo assembly of a biologically active compound | KONINKL PHILIPS ELECTRONICS NV (NL) | 2009-04-15 | — | — | CN | disclosed |
| EP-2001512-A2 | USE OF THE STAUDINGER LIGATION IN IN VIVO ASSEMBLY OF A BIOLOGICALLY ACTIVE COMPOUND | Koninklijke Philips Electronics N.V. (NL) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110811-A2 | USE OF THE STAUDINGER LIGATION IN IN VIVO ASSEMBLY OF A BIOLOGICALLY ACTIVE COMPOUND | KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) | 2007-10-04 | — | — | WO | disclosed |