⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3973550 | 0.72 | — | — | |
| SCHEMBL3973463 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3973657 | 0.71 | — | — | |
| SCHEMBL3980667 | 0.61 | THRB (0.36) | — | |
| SCHEMBL1811006 | 0.61 | GNAI3 (0.31) | — | |
| SCHEMBL1700039 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL1956988 | 0.55 | — | — | |
| SCHEMBL21379123 | 0.52 | GPR119 (0.34) | — | |
| SCHEMBL23938196 | 0.51 | — | — | |
| SCHEMBL23894275 | 0.51 | L3MBTL1 (0.31) | — |
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-2376197-A2 | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | Abbott Laboratories (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010065824-A2 | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBOTT LABORATORIES (US) | 2010-06-10 | — | — | WO | disclosed |