⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8545478 | 0.81 | DUT (0.36) | — | |
| SCHEMBL28326219 | 0.78 | — | — | |
| SCHEMBL9911294 | 0.78 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL8545480 | 0.78 | — | — | |
| SCHEMBL198568 | 0.76 | NR3C1 (0.36) | — | |
| SCHEMBL15215965 | 0.75 | ESR1 (0.52) | — | |
| SCHEMBL9138780 | 0.75 | TRPA1 (0.36) | — | |
| SCHEMBL1627423 | 0.72 | RAB9A (0.36) | — | |
| SCHEMBL28177191 | 0.71 | — | — | |
| SCHEMBL9474046 | 0.71 | — | — |
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-4808682-A | BLEND WITH OLEFINICALLY UNSATURATED SILICON COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 1989-02-28 | — | — | US | disclosed |