⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2839554 | 0.76 | SLC6A4 (0.38) | — | |
| SCHEMBL10078734 | 0.72 | HTR6 (0.32) | — | |
| SCHEMBL2845301 | 0.68 | HRH3 (0.36) | — | |
| Hydrochloric Acid SCHEMBL2840338 | 0.64 | SLC6A4 (0.38) | — | |
| SCHEMBL2844093 | 0.62 | IMPDH2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL2839164 | 0.61 | MAPK1 (0.34) | — | |
| SCHEMBL10078515 | 0.59 | HTR2A (0.31) | — | |
| SCHEMBL29492146 | 0.55 | TDP1 (0.55) | — | |
| SCHEMBL4190024 | 0.55 | TDP1 (0.55) | — | |
| SCHEMBL165195 | 0.53 | TDP1 (0.46) | — |
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-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20100048537-A1 | HETEROARYL DERIVATIVES | NIPPON SHINYAKU CO., LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-2141168-A1 | HETEROARYL DERIVATIVES | Nippon Shinyaku Co., Ltd. (JP) | 2010-01-06 | — | — | EP | disclosed |