⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7897637 | 0.82 | HTR2A (0.30) | — | |
| SCHEMBL7900624 | 0.72 | SIGMAR1 (0.42) | — | |
| SCHEMBL7898795 | 0.71 | — | — | |
| SCHEMBL7897661 | 0.62 | SLC6A4 (0.42) | — | |
| SCHEMBL10956840 | 0.62 | — | — | |
| SCHEMBL8347053 | 0.61 | SIGMAR1 (0.32) | — | |
| SCHEMBL28770204 | 0.58 | SIGMAR1 (0.50) | — | |
| SCHEMBL3921615 | 0.58 | NOS2 (0.34) | — | |
| SCHEMBL9391092 | 0.56 | CA2 (0.39) | — | |
| SCHEMBL3916305 | 0.55 | NOS2 (0.32) | — |
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-6191273-B1 | 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS | ISIS PHARMACEUTICALS, INC. | 2001-02-20 | — | — | US | disclosed |
| WO-1999011612-A2 | SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME | ISIS PHARMACEUTICALS, INC. (US) | 1999-03-11 | — | — | WO | disclosed |