⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9010499 | 0.89 | DRD5 (0.33) | — | |
| SCHEMBL9010506 | 0.85 | — | — | |
| SCHEMBL7751081 | 0.79 | DRD5 (0.32) | — | |
| SCHEMBL7758780 | 0.78 | — | — | |
| SCHEMBL8579023 | 0.75 | RARB (0.32) | — | |
| SCHEMBL8027948 | 0.74 | USP5 (0.31) | — | |
| SCHEMBL7755532 | 0.74 | PTPN1 (0.34) | — | |
| SCHEMBL7755534 | 0.74 | PTPN1 (0.34) | — | |
| SCHEMBL8027949 | 0.74 | USP5 (0.31) | — | |
| SCHEMBL8027953 | 0.74 | USP5 (0.31) | — |
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-5582765-A | Triflate compounds and process for preparing silacyclohexane-based liquid crystal compounds from the triflate compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0700919-A2 | Triflate compounds and process for preparing silacyclohexane-based liquid crystal compounds from the triflate compounds | Shin-Etsu Chemical Co., Ltd. (JP) | 1996-03-13 | — | — | EP | disclosed |