⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4555195 | 0.83 | — | — | |
| SCHEMBL4555295 | 0.82 | — | — | |
| SCHEMBL4213190 | 0.81 | PARP1 (0.30) | — | |
| SCHEMBL3706872 | 0.78 | HTR2A (0.31) | — | |
| SCHEMBL3690376 | 0.77 | CREBBP (0.32) | — | |
| SCHEMBL2281832 | 0.75 | HTR2A (0.32) | — | |
| SCHEMBL3685943 | 0.71 | HTR2A (0.31) | — | |
| SCHEMBL3689040 | 0.69 | HTR2A (0.33) | — | |
| SCHEMBL4555861 | 0.68 | HTR2A (0.30) | — | |
| SCHEMBL3690231 | 0.67 | PARP1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2121707-A1 | ANTIVIRAL INDOLES | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008075103-A1 | ANTIVIRAL INDOLES | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2008-06-26 | — | — | WO | disclosed |