⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3520735 | 0.80 | — | — | |
| SCHEMBL28394177 | 0.78 | — | — | |
| SCHEMBL28015040 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL27747540 | 0.78 | — | — | |
| SCHEMBL8965442 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL7175617 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL7172947 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL27768509 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL7183665 | 0.75 | EPHX2 (0.41) | — | |
| SCHEMBL19395953 | 0.75 | TSHR (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9316044-A | — | — | None | — | — | JP | disclosed |
| JP-H09316044-A | OPTICALLY ACTIVE 3-CHLOROLACTONITRILE, ITS ESTER AND THEIR PRODUCTION | MITSUBISHI RAYON CO LTD | 1997-12-09 | — | — | JP | disclosed |
| US-4319024-A | ALKYLATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |