⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12403126 | 0.83 | — | — | |
| SCHEMBL16600191 | 0.77 | AHR (0.33) | — | |
| SCHEMBL4572706 | 0.69 | IDO1 (0.32) | — | |
| SCHEMBL16682941 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL26724 | 0.66 | AHR (0.39) | — | |
| SCHEMBL31254111 | 0.66 | AHR (0.39) | — | |
| SCHEMBL29441520 | 0.66 | AHR (0.39) | — | |
| SCHEMBL31277494 | 0.65 | KDM1A (0.33) | — | |
| Water SCHEMBL22361230 | 0.64 | AHR (0.37) | — | |
| SCHEMBL4586058 | 0.64 | IDO1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7985885-B2 | Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both | TOSOH CORPORATION (JP) | 2011-07-26 | — | — | US | disclosed |
| US-20090023957-A1 | TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH | TOSOH CORPORATION (JP) | 2009-01-22 | — | — | US | disclosed |