⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16167911 | 0.86 | CCNE1 (0.36) | — | |
| SCHEMBL14309114 | 0.81 | — | — | |
| SCHEMBL26859096 | 0.81 | HCAR2 (0.35) | — | |
| SCHEMBL17538765 | 0.79 | SLC6A3 (0.35) | — | |
| SCHEMBL22736793 | 0.79 | NOS1 (0.43) | — | |
| SCHEMBL18895888 | 0.78 | — | — | |
| SCHEMBL12737784 | 0.77 | PDPK1 (0.32) | — | |
| SCHEMBL20932946 | 0.76 | MLYCD (0.31) | — | |
| SCHEMBL18999594 | 0.75 | — | — | |
| SCHEMBL22314659 | 0.74 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170237010-A1 | Azinothiadiazole Compounds and Related Semiconductor Devices | USINVEST LLC | 2017-08-17 | — | — | US | disclosed |
| US-9708346-B2 | Semiconducting compounds and related devices | FLEXTERRA, INC. (US) | 2017-07-18 | — | — | US | disclosed |
| US-20170110666-A1 | Semiconducting Compounds and Related Devices | USINVEST LLC | 2017-04-20 | — | — | US | disclosed |