⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24062992 | 0.94 | — | — | |
| SCHEMBL8229900 | 0.78 | — | — | |
| SCHEMBL23205180 | 0.78 | — | — | |
| SCHEMBL14280626 | 0.76 | — | — | |
| SCHEMBL55912 | 0.76 | — | — | |
| SCHEMBL14755878 | 0.76 | — | — | |
| SCHEMBL18626854 | 0.76 | DNM1 (0.44) | — | |
| SCHEMBL16303442 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4696494 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL23765660 | 0.72 | MEN1 (0.38) | — |
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-20170119907-A1 | Targeted Therapeutics | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-05-04 | — | — | US | disclosed |
| US-8138339-B2 | Inhibitors of protein kinases | PORTOLA PHARMACEUTICALS, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20090318407-A1 | Inhibitors of protein kinases | PORTOLA PHARMACEUTICALS, INC. (US) | 2009-12-24 | — | — | US | disclosed |
| WO-2005007124-A2 | SUBSTITUTED DIHYDROPYRIMIDINE INHIBITORS OF CALCIUM CHANNEL FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-01-27 | — | — | WO | disclosed |
| WO-2004000788-A1 | UREIDO-SUBSTITUTED ANILINE COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-31 | — | — | WO | disclosed |