⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19934081 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL19929709 | 0.92 | — | — | |
| SCHEMBL19929748 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL19929730 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL19934108 | 0.81 | ERN1 (0.31) | — | |
| SCHEMBL19934087 | 0.78 | CYP1A1 (0.33) | — | |
| SCHEMBL19934062 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL19929707 | 0.76 | HTT (0.37) | — | |
| SCHEMBL19934083 | 0.76 | ACACB (0.39) | — | |
| SCHEMBL19929720 | 0.75 | HTT (0.36) | — |
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-10287225-B2 | Chain multiyne compound, preparation method and application thereof | XIAMEN UNIVERSITY (CN) | 2019-05-14 | — | — | US | disclosed |
| US-20180065908-A1 | CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF | XIAMEN UNIVERSITY (CN) | 2018-03-08 | — | — | US | disclosed |