⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10960367 | 0.92 | — | — | |
| SCHEMBL9146192 | 0.85 | RAB9A (0.36) | — | |
| SCHEMBL20597208 | 0.82 | TSHR (0.42) | — | |
| SCHEMBL11673737 | 0.82 | TSHR (0.42) | — | |
| SCHEMBL21484049 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL10955621 | 0.79 | — | — | |
| SCHEMBL10453408 | 0.78 | RAB9A (0.30) | — | |
| SCHEMBL4534685 | 0.77 | — | — | |
| SCHEMBL11673918 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL11759856 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0444742-A1 | Ester/alcohol synthesis | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-09-04 | — | — | EP | disclosed |