⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29172662 | 0.67 | — | — | |
| SCHEMBL15511330 | 0.65 | NOTUM (0.30) | — | |
| SCHEMBL5673616 | 0.65 | — | — | |
| SCHEMBL15511329 | 0.65 | NOTUM (0.30) | — | |
| SCHEMBL3070359 | 0.65 | NOTUM (0.33) | — | |
| SCHEMBL5281274 | 0.61 | NOS1 (0.31) | — | |
| SCHEMBL6587600 | 0.61 | — | — | |
| SCHEMBL14384895 | 0.61 | — | — | |
| SCHEMBL6222472 | 0.61 | — | — | |
| SCHEMBL23808321 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0610154-A1 | Fluorescent whitening of paper | CIBA-GEIGY AG (CH) | 1994-08-10 | — | — | EP | claimed |
| WO-2001049924-A2 | A PROCESS FOR IMPROVING THE SUN PROTECTION FACTOR OF CELLULOSIC FIBRE MATERIAL | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2001-07-12 | — | — | WO | disclosed |
| EP-0610154-A1 | Fluorescent whitening of paper | CIBA-GEIGY AG (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-4332961-A | BENZYL ESTER OF 4-TRIFLUOROMETHYLPHENOXYPHENOXYALKANECARBOXYLIC ACID | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1982-06-01 | — | — | US | disclosed |
| US-4314069-A | ESTERS OF A-(4-(4-TRIFLUOROMETHYL)PHENOXY)0PHENOXY)ALKANECARBOXYLIC ACIDS | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1982-02-02 | — | — | US | disclosed |
| US-4309562-A | SELECTIVE KILLING OF GRASSY WEEDS IN BROAD-LEAFED CROPS | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1982-01-05 | — | — | US | disclosed |
| US-4270948-A | (TRIFLUOROMETHYLPHENOXY)PHENOXYALKANE THIOCARBOXYLATE | ISHIHARA SANGYO KAISHA LTD. (JP) | 1981-06-02 | — | — | US | disclosed |