⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10505748 | 0.61 | — | — | |
| SCHEMBL2037004 | 0.60 | — | — | |
| SCHEMBL2040185 | 0.60 | — | — | |
| SCHEMBL2037841 | 0.59 | — | — | |
| SCHEMBL3679428 | 0.55 | — | — | |
| SCHEMBL4365635 | 0.55 | MEN1 (0.33) | — | |
| SCHEMBL651428 | 0.49 | MEN1 (0.75) | — | |
| SCHEMBL28394988 | 0.48 | ALDH1A1 (0.35) | — | |
| SCHEMBL1476442 | 0.46 | MEN1 (0.67) | — | |
| Hydrochloric Acid SCHEMBL30978214 | 0.46 | MEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002042282-A1 | METHOD FOR PRODUCING NITRO-DIHYDROISOXAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-30 | — | — | WO | claimed |
| WO-2002042282-A1 | METHOD FOR PRODUCING NITRO-DIHYDROISOXAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-30 | — | — | WO | disclosed |
| WO-2001046163-A2 | 3-NITRO-DIHYDRO-ISOXAZOLES AND OXAZINES AND THEIR USE AS MICROBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-28 | — | — | WO | disclosed |