⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2841800 | 0.87 | HTR1A (0.31) | — | |
| SCHEMBL2839417 | 0.78 | KMT2A (0.35) | — | |
| SCHEMBL2839435 | 0.76 | SLC6A2 (0.36) | — | |
| SCHEMBL2836785 | 0.74 | SLC6A4 (0.31) | — | |
| SCHEMBL2836848 | 0.73 | PNMT (0.30) | — | |
| SCHEMBL2842479 | 0.71 | SLC6A2 (0.49) | — | |
| SCHEMBL2873680 | 0.69 | IMPDH2 (0.42) | — | |
| SCHEMBL2841048 | 0.67 | HTR2C (0.35) | — | |
| SCHEMBL29165963 | 0.64 | HPGD (0.38) | — | |
| Hydrochloric Acid SCHEMBL3575016 | 0.64 | GID4 (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 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 |