⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18747968 | 0.88 | ACACB (0.30) | — | |
| SCHEMBL18747402 | 0.88 | FFAR1 (0.30) | — | |
| SCHEMBL18747255 | 0.86 | — | — | |
| SCHEMBL14424430 | 0.84 | — | — | |
| SCHEMBL3687216 | 0.84 | ACACB (0.38) | — | |
| SCHEMBL18746627 | 0.83 | ALOX5AP (0.32) | — | |
| SCHEMBL3164930 | 0.83 | — | — | |
| SCHEMBL18747881 | 0.83 | FFAR1 (0.33) | — | |
| SCHEMBL18746601 | 0.81 | — | — | |
| SCHEMBL18746573 | 0.81 | — | — |
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-7255811-B2 | Tolane derivatives and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2007-08-14 | — | — | US | disclosed |