⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18373639 | 0.87 | — | — | |
| SCHEMBL31084745 | 0.86 | — | — | |
| SCHEMBL6516734 | 0.80 | — | — | |
| SCHEMBL18653066 | 0.78 | — | — | |
| SCHEMBL19353721 | 0.78 | — | — | |
| SCHEMBL6515368 | 0.72 | — | — | |
| SCHEMBL9250358 | 0.72 | — | — | |
| SCHEMBL9775429 | 0.72 | — | — | |
| SCHEMBL18930202 | 0.72 | — | — | |
| SCHEMBL20643764 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130034495-A1 | ISOTOPOLOGUES OF 4-[9-(TETRAHYDRO-FURAN-3-YL)-8-(2,4,6-TRIFLUORO-PHENYLAMINO)-9H-PURIN-2-YLAMINO]-CYCLOHEXAN-1-OL | SIGNAL PHARMACEUTICALS, LLC | 2013-02-07 | — | — | US | disclosed |
| US-20130034495-A1 | ISOTOPOLOGUES OF 4-[9-(TETRAHYDRO-FURAN-3-YL)-8-(2,4,6-TRIFLUORO-PHENYLAMINO)-9H-PURIN-2-YLAMINO]-CYCLOHEXAN-1-OL | SIGNAL PHARMACEUTICALS, LLC | 2013-02-07 | — | — | US | disclosed |
| US-20130034495-A1 | ISOTOPOLOGUES OF 4-[9-(TETRAHYDRO-FURAN-3-YL)-8-(2,4,6-TRIFLUORO-PHENYLAMINO)-9H-PURIN-2-YLAMINO]-CYCLOHEXAN-1-OL | SIGNAL PHARMACEUTICALS, LLC | 2013-02-07 | — | — | US | disclosed |
| WO-2011071491-A1 | ISOTOPOLOGUES OF 4-[9-(TETRAHYDRO-FURAN-3-YL)-8-(2, 4, 6- TRIFLUORO-PHENYLAMINO)-9H-PURIN-2-YLAMINO]-CYCLOHEXAN-1-OL | SIGNAL PHARMACEUTICALS, LLC (US) | 2011-06-16 | — | — | WO | disclosed |
| WO-2011071491-A1 | ISOTOPOLOGUES OF 4-[9-(TETRAHYDRO-FURAN-3-YL)-8-(2, 4, 6- TRIFLUORO-PHENYLAMINO)-9H-PURIN-2-YLAMINO]-CYCLOHEXAN-1-OL | SIGNAL PHARMACEUTICALS, LLC (US) | 2011-06-16 | — | — | WO | disclosed |