⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2157236 | 0.74 | — | — | |
| Carbon Monoxide SCHEMBL6552623 | 0.70 | — | — | |
| SCHEMBL3462335 | 0.70 | — | — | |
| SCHEMBL5576463 | 0.70 | — | — | |
| SCHEMBL499542 | 0.70 | — | — | |
| SCHEMBL11125371 | 0.70 | — | — | |
| SCHEMBL1652638 | 0.69 | — | — | |
| Bicarbonate SCHEMBL6419157 | 0.68 | — | — | |
| SCHEMBL251892 | 0.68 | — | — | |
| SCHEMBL30835 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5132411-A | Blue shades | SANDOZ LTD. (CH) | 1992-07-21 | — | — | US | claimed |
| US-4505857-A | DISPERSE DYES FOR TEXTILE DYEING; COLORFASTNESS | SANDOZ LTD. (CH) | 1985-03-19 | — | — | US | claimed |
| CN-102119143-A | Amide derivative, pest control agent containing the same, and method of using the pest control agent | MITSUI CHEMICALS AGRO INC | 2011-07-06 | — | — | CN | disclosed |
| CN-102112437-A | Amide derivative, pest control agent containing same, and pest control method | MITSUI CHEMICALS AGRO INC | 2011-06-29 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-5679800-A | DISPERSE DYES AND INTERMEDIATES FOR DISPERSE DYES | CLARIANT FINANCE (BVI) LIMITED (VG) | 1997-10-21 | — | — | US | disclosed |
| US-5132411-A | Blue shades | SANDOZ LTD. (CH) | 1992-07-21 | — | — | US | disclosed |
| US-4505857-A | DISPERSE DYES FOR TEXTILE DYEING; COLORFASTNESS | SANDOZ LTD. (CH) | 1985-03-19 | — | — | US | disclosed |
| US-4003965-A | FIRE RETARDANTS, PREEMERGENCE HERBICIDES | MONSANTO COMPANY (US) | 1977-01-18 | — | — | US | disclosed |
| US-4003965-A | FIRE RETARDANTS, PREEMERGENCE HERBICIDES | MONSANTO COMPANY (US) | 1977-01-18 | — | — | US | disclosed |