⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27325417 | 0.82 | TGFBR1 (0.32) | — | |
| SCHEMBL20340676 | 0.81 | — | — | |
| SCHEMBL18403408 | 0.79 | ECE1 (0.39) | — | |
| SCHEMBL1569122 | 0.79 | — | — | |
| SCHEMBL20843656 | 0.79 | — | — | |
| SCHEMBL25168121 | 0.79 | — | — | |
| SCHEMBL19651563 | 0.79 | — | — | |
| SCHEMBL8342661 | 0.79 | ECE1 (0.39) | — | |
| SCHEMBL4542579 | 0.78 | — | — | |
| SCHEMBL2702499 | 0.78 | — | — |
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-20050187390-A1 | Bicyclic heteroaryl derivatives | GENELABS TECHNOLOGIES, INC. | 2005-08-25 | — | — | US | claimed |
| WO-2012090104-A1 | METHODS AND COMPOSITIONS FOR DESIGNING NOVEL CONJUGATE THERAPEUTICS | KAREUS THERAPEUTICS, SA (CH) | 2012-07-05 | — | — | WO | disclosed |
| US-7511145-B2 | Bicyclic heteroaryl derivatives | GENELABS TECHNOLOGIES, INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-20090081165-A1 | BICYCLIC HETEROARYL DERIVATIVES | GENELABS TECHNOLOGIES, INC. | 2009-03-26 | — | — | US | disclosed |
| US-20050187390-A1 | Bicyclic heteroaryl derivatives | GENELABS TECHNOLOGIES, INC. | 2005-08-25 | — | — | US | disclosed |