⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95498 | 0.78 | — | — | |
| SCHEMBL1140241 | 0.75 | — | — | |
| T-Butylacetic Acid SCHEMBL71379 | 0.73 | — | — | |
| SCHEMBL48109 | 0.73 | KDM4E (0.65) | — | |
| T-Butylacetic Acid SCHEMBL10950588 | 0.73 | HMGCR (0.61) | — | |
| SCHEMBL30854909 | 0.73 | KDM4E (0.65) | — | |
| SCHEMBL544642 | 0.73 | HMGCR (0.61) | — | |
| SCHEMBL7252624 | 0.73 | HMGCR (0.61) | — | |
| T-Butylacetic Acid SCHEMBL973430 | 0.71 | — | — | |
| SCHEMBL6733907 | 0.71 | KDM4E (0.62) | — |
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 |