⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30295 | 0.76 | — | — | |
| SCHEMBL29771711 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29139017 | 0.72 | — | — | |
| SCHEMBL330339 | 0.71 | — | — | |
| SCHEMBL7519675 | 0.69 | TDP1 (0.56) | — | |
| SCHEMBL7522809 | 0.69 | — | — | |
| SCHEMBL7515046 | 0.69 | — | — | |
| SCHEMBL7519669 | 0.69 | TDP1 (0.56) | — | |
| SCHEMBL7519945 | 0.69 | — | — | |
| SCHEMBL7515042 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0091305-B1 | METHOD FOR PRODUCING VICINAL, HETEROGENEOUS DIHALOGENATED PRODUCTS, THEIR USE, AND NOVEL PRODUCTS | CETUS CORPORATION (US) | 1987-10-21 | — | — | EP | disclosed |
| US-4587217-A | FORMATION OF EPIHALOHYDRIN BY HALOGENATION AND OXIDATION | CETUS CORPORATION (US) | 1986-05-06 | — | — | US | disclosed |
| EP-0091305-A2 | Method for producing vicinal, heterogeneous dihalogenated products, their use, and novel products | CETUS CORPORATION (US) | 1983-10-12 | — | — | EP | disclosed |