⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29105 | 1.00 | — | — | |
| SCHEMBL11720422 | 0.93 | LMNA (0.33) | — | |
| SCHEMBL6129439 | 0.93 | — | — | |
| SCHEMBL3579636 | 0.93 | — | — | |
| SCHEMBL1037620 | 0.83 | — | — | |
| Dibromodifluoromethane SCHEMBL102197 | 0.83 | — | — | |
| SCHEMBL7873745 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL10758849 | 0.82 | ALDH1A1 (0.33) | — | |
| Chloroform SCHEMBL11883449 | 0.78 | — | — | |
| SCHEMBL159489 | 0.77 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0864327-A1 | Use of pyrimidin derivatives to prevent cancer | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-09-16 | — | — | EP | claimed |
| EP-0005911-A1 | Analgesic 6-acylaminotetrahydro-1,3,5-triazine-2,4-dione derivatives, pharmaceutical compositions thereof, and process for their manufacture | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-12-12 | — | — | EP | claimed |
| EP-2755969-A1 | ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2014-07-23 | — | — | EP | disclosed |
| EP-2748137-A1 | DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2014-07-02 | — | — | EP | disclosed |
| WO-2014019951-A1 | METHODS OF CONTROLLING INSECTS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-02-06 | — | — | WO | disclosed |
| WO-2014001120-A1 | ISOTHIAZOLE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-01-03 | — | — | WO | disclosed |
| WO-2013037626-A1 | ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2013-03-21 | — | — | WO | disclosed |
| WO-2013026695-A1 | ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013026726-A1 | DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013026724-A1 | DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2013-02-28 | — | — | WO | disclosed |
| US-5866578-A | Substituted pyrimidines for control of diabetic complications | PFIZER INC (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0864327-A1 | Use of pyrimidin derivatives to prevent cancer | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-09-16 | — | — | EP | disclosed |
| EP-0028901-A1 | Antidepressant derivatives of trans-4-phenyl-1,2,3,4-tetrahydro-1-naphthalenamine and pharmaceutical compositions thereof | PFIZER INC. (US) | 1981-05-20 | — | — | EP | disclosed |