⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11710681 | 0.75 | — | — | |
| SCHEMBL2134644 | 0.73 | — | — | |
| SCHEMBL1702392 | 0.73 | — | — | |
| SCHEMBL5385534 | 0.71 | — | — | |
| SCHEMBL29013730 | 0.69 | — | — | |
| SCHEMBL6561359 | 0.69 | — | — | |
| SCHEMBL2072721 | 0.68 | — | — | |
| SCHEMBL6052977 | 0.68 | — | — | |
| SCHEMBL21699059 | 0.67 | — | — | |
| SCHEMBL2140378 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4001307-A | HALOGENATION, ESTERIFICATION, ISOPRENE | SCM CORPORATION (US) | 1977-01-04 | — | — | US | claimed |
| JP-9255620-A | — | — | None | — | — | JP | disclosed |
| JP-52113909-A | — | — | None | — | — | JP | disclosed |
| JP-H09255620-A | PRODUCTION OF 2-METHYL-2-BUTENE 1,4-DIESTER | HODOGAYA CHEM CO LTD | 1997-09-30 | — | — | JP | disclosed |
| JP-S52113909-A | PREPARATION OF 6-METHYL-5-HEPTENE-2-ONE | KURARAY CO LTD | 1977-09-24 | — | — | JP | disclosed |
| US-4001307-A | HALOGENATION, ESTERIFICATION, ISOPRENE | SCM CORPORATION (US) | 1977-01-04 | — | — | US | disclosed |
| US-3932543-A | Process for halogenation of conjugated dienes to dihalogenated butene products | SCM CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |
| US-3932543-A | Process for halogenation of conjugated dienes to dihalogenated butene products | SCM CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |