⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL113085 | 0.81 | — | — | |
| SCHEMBL786227 | 0.74 | — | — | |
| SCHEMBL13485361 | 0.70 | — | — | |
| SCHEMBL1671480 | 0.70 | — | — | |
| SCHEMBL115697 | 0.70 | — | — | |
| SCHEMBL13501656 | 0.70 | — | — | |
| SCHEMBL28417512 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL20840575 | 0.68 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL11187707 | 0.68 | NPC1 (0.37) | — | |
| SCHEMBL3711167 | 0.67 | MEN1 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2951170-B1 | FLAP MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-10-24 | — | — | EP | disclosed |
| EP-1968956-A2 | CALCIUM CHANNEL ANTAGONISTS | Icagen, Inc. (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007073497-A2 | CALCIUM CHANNEL ANTAGONISTS | ICAGEN, INC. (US) | 2007-06-28 | — | — | WO | disclosed |