⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22055985 | 1.00 | LMNA (0.44) | — | |
| SCHEMBL12189654 | 1.00 | — | — | |
| SCHEMBL22055982 | 1.00 | LMNA (0.44) | — | |
| SCHEMBL15493966 | 1.00 | LMNA (0.44) | — | |
| SCHEMBL13007431 | 1.00 | LMNA (0.44) | — | |
| SCHEMBL3434494 | 0.96 | — | — | |
| SCHEMBL4153481 | 0.84 | — | — | |
| SCHEMBL25302278 | 0.78 | TSHR (0.61) | — | |
| 1,4-Butanediol SCHEMBL21630075 | 0.78 | TSHR (0.61) | — | |
| SCHEMBL21462773 | 0.78 | TSHR (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2698412-B1 | MESOGEN CONTAINING COMPOUNDS | TRANSITIONS OPTICAL INC (US) | 2016-10-12 | — | — | EP | disclosed |
| US-20090323012-A1 | LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS | TRANSITIONS OPITCAL, INC. (US) | 2009-12-31 | — | — | US | disclosed |
| WO-2009139886-A2 | TARGETING AN HIV-1 NEF-HOST CELL KINASE COMPLEX | UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2009-11-19 | — | — | WO | disclosed |
| US-20080194697-A1 | NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES | CELLGATE, INC. | 2008-08-14 | — | — | US | disclosed |