⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31123495 | 1.00 | — | — | |
| SCHEMBL456165 | 0.79 | — | — | |
| SCHEMBL1357052 | 0.75 | — | — | |
| SCHEMBL91378 | 0.75 | — | — | |
| SCHEMBL18780354 | 0.74 | — | — | |
| SCHEMBL2995201 | 0.74 | — | — | |
| SCHEMBL25971408 | 0.73 | KDM4E (0.41) | — | |
| SCHEMBL14034614 | 0.72 | KMT2A (0.46) | — | |
| SCHEMBL92202 | 0.72 | — | — | |
| SCHEMBL7741335 | 0.72 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0623341-B1 | Use of 4-thioresorcin derivatives in skin whitening cosmetic or dermopharmaceutical compositions | OREAL (FR) | 1996-10-16 | — | — | EP | claimed |
| WO-2021153794-A1 | METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE | 住友化学株式会社 | 2021-08-05 | — | — | WO | disclosed |
| US-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | MERCK SERONO SA (CH) | 2010-08-19 | — | — | US | disclosed |
| US-4661601-A | PHOTOGRAPHIC BLACK COLOR COUPLER | CIBA-GEIGY AG (CH) | 1987-04-28 | — | — | US | disclosed |
| EP-0069066-B1 | RESORCINOLS AND THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1984-10-03 | — | — | EP | disclosed |
| EP-0069066-A1 | Resorcinols and their preparation | CIBA-GEIGY AG (CH) | 1983-01-05 | — | — | EP | disclosed |
| US-4225619-A | BACTERICIDES, FUNGICIDES | BOEHRINGER INGELHEIM GMBH (DE) | 1980-09-30 | — | — | US | disclosed |
| US-3992377-A | 3-Thio-substituted cephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1976-11-16 | — | — | US | disclosed |