⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9009883 | 0.76 | — | — | |
| SCHEMBL5347712 | 0.72 | — | — | |
| SCHEMBL11464409 | 0.69 | — | — | |
| SCHEMBL4373516 | 0.68 | — | — | |
| SCHEMBL1445180 | 0.67 | — | — | |
| SCHEMBL16433209 | 0.67 | — | — | |
| SCHEMBL2107431 | 0.63 | — | — | |
| SCHEMBL2108351 | 0.63 | — | — | |
| SCHEMBL11667866 | 0.62 | — | — | |
| SCHEMBL6531819 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8116914-A | — | — | None | — | — | JP | disclosed |
| JP-8116915-A | — | — | None | — | — | JP | disclosed |
| JP-8116915-A | — | — | None | — | — | JP | disclosed |
| JP-8116914-A | — | — | None | — | — | JP | disclosed |
| JP-H08116914-A | 3-ALKYL-1,2,4-TRITHIOLANES | T HASEGAWA CO LTD | 1996-05-14 | — | — | JP | disclosed |
| JP-H08116915-A | 3-ALKYL-1,2,4-TRITHIOLANES | T HASEGAWA CO LTD | 1996-05-14 | — | — | JP | disclosed |
| JP-H08116915-A | 3-ALKYL-1,2,4-TRITHIOLANES | T HASEGAWA CO LTD | 1996-05-14 | — | — | JP | disclosed |
| JP-H08116914-A | 3-ALKYL-1,2,4-TRITHIOLANES | T HASEGAWA CO LTD | 1996-05-14 | — | — | JP | disclosed |