⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12138745 | 0.69 | — | — | |
| SCHEMBL812532 | 0.69 | — | — | |
| SCHEMBL509932 | 0.67 | — | — | |
| SCHEMBL2625549 | 0.67 | — | — | |
| SCHEMBL12725065 | 0.67 | — | — | |
| SCHEMBL1911321 | 0.67 | — | — | |
| SCHEMBL22112902 | 0.65 | — | — | |
| SCHEMBL15999968 | 0.65 | TDP1 (0.30) | — | |
| SCHEMBL3992984 | 0.65 | — | — | |
| SCHEMBL276865 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090149450-A1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2009-06-11 | — | — | US | claimed |