⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8575881 | 0.97 | — | — | |
| SCHEMBL130091 | 0.72 | — | — | |
| SCHEMBL19462513 | 0.69 | — | — | |
| SCHEMBL7709341 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL31321263 | 0.69 | — | — | |
| SCHEMBL5300019 | 0.69 | — | — | |
| SCHEMBL126335 | 0.67 | — | — | |
| SCHEMBL10979142 | 0.65 | — | — | |
| SCHEMBL17725838 | 0.62 | — | — | |
| SCHEMBL926499 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0929554-A1 | SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |
| WO-1998013369-A1 | SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-04-02 | — | — | WO | disclosed |
| US-RE30574-E | PREEMERGENT AND POSTEMERGENT | SHELL OIL COMPANY (US) | 1981-04-14 | — | — | US | disclosed |
| US-4116669-A | Herbicidal tetrahydrofuran derivatives | SHELL OIL COMPANY (US) | 1978-09-26 | — | — | US | disclosed |