⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10797791 | 0.83 | — | — | |
| SCHEMBL18661691 | 0.80 | HSP90AB1 (0.36) | — | |
| SCHEMBL10802512 | 0.78 | HSP90AB1 (0.39) | — | |
| SCHEMBL17302207 | 0.71 | MEN1 (0.32) | — | |
| SCHEMBL18661606 | 0.67 | — | — | |
| SCHEMBL10918105 | 0.67 | HSP90AB1 (0.39) | — | |
| SCHEMBL12410555 | 0.63 | — | — | |
| SCHEMBL19154451 | 0.63 | — | — | |
| SCHEMBL18661686 | 0.62 | — | — | |
| SCHEMBL18661689 | 0.62 | MEN1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037449-A | For dyeing or printing cotton or wool | CIBA-GEIGY CORPORATION (US) | 1991-08-06 | — | — | US | disclosed |
| EP-0356394-A2 | Reactive dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1990-02-28 | — | — | EP | disclosed |
| US-4640923-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1987-02-03 | — | — | US | disclosed |
| US-4614532-A | HERBICIDES, FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-30 | — | — | US | disclosed |
| EP-0160908-A2 | 2,4-Diamino-6-halogen-5-alkylthio-pyrimidines | BAYER AG (DE) | 1985-11-13 | — | — | EP | disclosed |