⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16850466 | 1.00 | — | — | |
| SCHEMBL14767422 | 0.83 | CNR2 (0.30) | — | |
| SCHEMBL24165262 | 0.80 | — | — | |
| SCHEMBL27415073 | 0.77 | — | — | |
| SCHEMBL18656561 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL26051692 | 0.77 | — | — | |
| SCHEMBL14145043 | 0.75 | — | — | |
| SCHEMBL17813284 | 0.75 | — | — | |
| SCHEMBL10203430 | 0.75 | — | — | |
| SCHEMBL23056508 | 0.74 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017124087-A1 | ANTI-PARASITIC COMPOUNDS AND USES THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2017-07-20 | — | — | WO | disclosed |
| US-20170125706-A1 | Organic Electroluminescent Materials and Devices | UNIVERSAL DISPLAY CORPORATION | 2017-05-04 | — | — | US | disclosed |
| WO-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |