⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL675301 | 0.97 | HRH3 (0.48) | — | |
| SCHEMBL8646031 | 0.80 | HRH3 (0.61) | — | |
| SCHEMBL10587377 | 0.79 | SIGMAR1 (0.46) | — | |
| SCHEMBL10846103 | 0.77 | HRH3 (0.48) | — | |
| SCHEMBL5489927 | 0.74 | HRH3 (0.52) | — | |
| SCHEMBL11179141 | 0.74 | HRH3 (0.52) | — | |
| SCHEMBL6844349 | 0.72 | — | — | |
| SCHEMBL10379098 | 0.72 | — | — | |
| SCHEMBL2508744 | 0.72 | — | — | |
| SCHEMBL446257 | 0.72 | — | — |
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-20090048224-A1 | COMPOUNDS AND METHODS OF USE | AMGEN, INC. (US) | 2009-02-19 | — | — | US | claimed |
| EP-0371390-A2 | Amino acid derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |