⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2286138 | 0.75 | HRH3 (0.34) | — | |
| SCHEMBL12410892 | 0.73 | HRH3 (0.32) | — | |
| SCHEMBL14440721 | 0.72 | CYP2B6 (0.31) | — | |
| SCHEMBL159232 | 0.72 | HTT (0.31) | — | |
| SCHEMBL2611005 | 0.71 | — | — | |
| SCHEMBL1374035 | 0.70 | HTR2C (0.30) | — | |
| SCHEMBL12376567 | 0.69 | CHRM1 (0.38) | — | |
| SCHEMBL2658021 | 0.66 | CYP3A4 (0.33) | — | |
| SCHEMBL1700411 | 0.65 | NR1H2 (0.33) | — | |
| SCHEMBL1700787 | 0.65 | NR1H2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003662-B2 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20070197537-A1 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. | 2007-08-23 | — | — | US | disclosed |