⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6577894 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL9614314 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL28420451 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL11113387 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL6225488 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL7870976 | 0.73 | — | — | |
| SCHEMBL7863854 | 0.72 | — | — | |
| SCHEMBL162994 | 0.72 | — | — | |
| SCHEMBL131330 | 0.72 | — | — | |
| SCHEMBL6239724 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6544298-B1 | Dyeing human hair using coupler | L'OREAL (FR) | 2003-04-08 | — | — | US | claimed |
| EP-0134464-B1 | PROCESS FOR THE PREPARATION OF 3,3- OR 2,3-DIMETHYL BUTENE AND 2,3- DIMETHYL BUTADIENE OR FOR THE SIMULTANEOUS PREPARATION OF THESE OLEFINS AND GLYCOL OR POLYGLYCOL-N-ALKYL-3,3- OR 2,3-DIMETHYL BUTYL ETHER FROM MONO- AND DICHLORO-DIMETHYL BUTANE | HÜLS AKTIENGESELLSCHAFT (DE) | 1988-04-20 | — | — | EP | disclosed |
| EP-0134464-A2 | Process for the preparation of 3,3- or 2,3-dimethyl butene and 2,3- dimethyl butadiene or for the simultaneous preparation of these olefins and glycol or polyglycol-n-alkyl-3,3- or 2,3-dimethyl butyl ether from mono- and dichloro-dimethyl butane | HÜLS AKTIENGESELLSCHAFT (DE) | 1985-03-20 | — | — | EP | disclosed |