⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4410946 | 1.00 | — | — | |
| SCHEMBL731146 | 0.79 | ACACB (0.45) | — | |
| SCHEMBL15163380 | 0.78 | ACACB (0.46) | — | |
| SCHEMBL731147 | 0.77 | ACACB (0.45) | — | |
| SCHEMBL4275303 | 0.75 | MAPT (0.30) | — | |
| SCHEMBL4266808 | 0.75 | OPRD1 (0.32) | — | |
| SCHEMBL4266728 | 0.74 | OPRD1 (0.32) | — | |
| SCHEMBL4267712 | 0.74 | OPRD1 (0.32) | — | |
| SCHEMBL4759175 | 0.73 | ACACB (0.33) | — | |
| SCHEMBL2660915 | 0.73 | PRKDC (0.35) | — |
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-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | claimed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | claimed |