⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165875 | 0.75 | — | — | |
| SCHEMBL7177724 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL20656 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL7549527 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL11070461 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL1040655 | 0.69 | — | — | |
| SCHEMBL16840065 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3429854 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL2417531 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL9281216 | 0.67 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0350311-A1 | N-phenylpyrazol-4-yl ether derivatives | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1990-01-10 | — | — | EP | claimed |
| US-5055482-A | Anthelmintic, antiprotozoa, netatocides, pesticides | MAY & BAKER LTD. (GB) | 1991-10-08 | — | — | US | disclosed |
| EP-0350311-A1 | N-phenylpyrazol-4-yl ether derivatives | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1990-01-10 | — | — | EP | disclosed |
| US-4168379-A | Pyridin-3-ols | BASF AKTIENGESELLSCHAFT (DE) | 1979-09-18 | — | — | US | disclosed |