⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1660880 | 0.76 | — | — | |
| SCHEMBL15537795 | 0.73 | NPC1 (0.32) | — | |
| SCHEMBL39924 | 0.73 | — | — | |
| SCHEMBL31051471 | 0.73 | — | — | |
| SCHEMBL28153591 | 0.70 | MEN1 (0.40) | — | |
| SCHEMBL20165962 | 0.70 | NPC1 (0.30) | — | |
| SCHEMBL5404663 | 0.69 | PTPN11 (0.31) | — | |
| SCHEMBL19243965 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL14742290 | 0.68 | KMO (0.71) | — | |
| SCHEMBL4146204 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102985553-A | Sirtuin activators and activation assays | SIRTRIS PHARMACEUTICALS INC | 2013-03-20 | — | — | CN | disclosed |
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |