⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15026825 | 0.79 | — | — | |
| SCHEMBL7724531 | 0.76 | — | — | |
| SCHEMBL2988174 | 0.76 | — | — | |
| SCHEMBL28289673 | 0.76 | — | — | |
| SCHEMBL14845431 | 0.76 | — | — | |
| SCHEMBL8182885 | 0.76 | — | — | |
| SCHEMBL11617437 | 0.74 | TDP1 (0.32) | — | |
| SCHEMBL3801642 | 0.73 | — | — | |
| Water SCHEMBL21525772 | 0.73 | — | — | |
| SCHEMBL21791046 | 0.73 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4039541-A | Monocyclic aromatic clathrates of 13-oxatetracyclo[8.2.12,9.0.03,8 ]tridec-5-ene-1,5,6,10-tetracarbonitrile | PHILLIPS PETROLEUM COMPANY (US) | 1977-08-02 | — | — | US | claimed |
| US-3998998-A | CURABLE | PHILLIPS PETROLEUM COMPANY (US) | 1976-12-21 | — | — | US | claimed |
| US-8546590-B2 | Polar dyes | CEPHEID (US) | 2013-10-01 | — | — | US | disclosed |
| US-8546590-B2 | Polar dyes | CEPHEID (US) | 2013-10-01 | — | — | US | disclosed |
| EP-1866387-B1 | POLAR DYES | CEPHEID (US) | 2013-05-08 | — | — | EP | disclosed |
| US-20110053155-A1 | POLAR DYES | CEPHEID (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053155-A1 | POLAR DYES | CEPHEID (US) | 2011-03-03 | — | — | US | disclosed |
| US-7799926-B2 | Polar dyes | CEPHEID (US) | 2010-09-21 | — | — | US | disclosed |
| US-4146552-A | Dehydrogenation of cis-1,2-dicyanocycloalkane | PHILLIPS PETROLEUM COMPANY (US) | 1979-03-27 | — | — | US | disclosed |
| US-4080327-A | 13-Oxatetracyclo[8.2.12,9.0.03,8 ]tridec-5-ene-1,5,6,10-tetracarbonitrile and separation of its monocyclic aromatic clathrates | PHILLIPS PETROLEUM COMPANY (US) | 1978-03-21 | — | — | US | disclosed |
| US-4039541-A | Monocyclic aromatic clathrates of 13-oxatetracyclo[8.2.12,9.0.03,8 ]tridec-5-ene-1,5,6,10-tetracarbonitrile | PHILLIPS PETROLEUM COMPANY (US) | 1977-08-02 | — | — | US | disclosed |
| US-3998853-A | CLATHRATES | PHILLIPS PETROLEUM COMPANY (US) | 1976-12-21 | — | — | US | disclosed |
| US-3998998-A | CURABLE | PHILLIPS PETROLEUM COMPANY (US) | 1976-12-21 | — | — | US | disclosed |
| US-3960921-A | Dihalodicyano alkenes | PHILLIPS PETROLEUM COMPANY (US) | 1976-06-01 | — | — | US | disclosed |