⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11210607 | 0.82 | TDP1 (0.41) | — | |
| SCHEMBL30094371 | 0.76 | — | — | |
| SCHEMBL2382246 | 0.76 | — | — | |
| SCHEMBL2382240 | 0.71 | — | — | |
| SCHEMBL30069079 | 0.69 | — | — | |
| SCHEMBL24224 | 0.67 | — | — | |
| SCHEMBL84159 | 0.67 | — | — | |
| SCHEMBL28738743 | 0.67 | — | — | |
| SCHEMBL3439164 | 0.67 | — | — | |
| SCHEMBL988689 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |
| 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 |