⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4121663 | 0.77 | — | — | |
| SCHEMBL4125692 | 0.76 | PIK3CD (0.38) | — | |
| SCHEMBL7608080 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL4132074 | 0.63 | FAAH (0.34) | — | |
| SCHEMBL6537340 | 0.62 | BCL2A1 (0.33) | — | |
| SCHEMBL4120704 | 0.60 | DPP4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL28161433 | 0.59 | — | — | |
| SCHEMBL4122456 | 0.57 | PIK3CD (0.33) | — | |
| SCHEMBL4121680 | 0.56 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL24700922 | 0.55 | — | — |
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-8431565-B2 | Substituted imidazoheterocycles | CARA THERAPEUTICS, INC. (US) | 2013-04-30 | — | — | US | claimed |
| US-20090149450-A1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2009-06-11 | — | — | US | claimed |