⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1477369 | 0.81 | — | — | |
| SCHEMBL269743 | 0.80 | — | — | |
| SCHEMBL4521938 | 0.73 | — | — | |
| SCHEMBL3905605 | 0.73 | — | — | |
| SCHEMBL1996198 | 0.73 | — | — | |
| SCHEMBL104402 | 0.69 | — | — | |
| SCHEMBL1564371 | 0.69 | — | — | |
| SCHEMBL10002607 | 0.69 | — | — | |
| SCHEMBL3901220 | 0.69 | — | — | |
| SCHEMBL2001042 | 0.69 | — | — |
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
Appears in 2391 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | claimed |
| US-7910556-B2 | PAR-2 agonist | KOWA COMPANY, LTD. (JP) | 2011-03-22 | — | — | US | claimed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | claimed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | claimed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | claimed |
| US-20090131330-A1 | PAR-2 AGONIST | KOWA CO., LTD. (JP) | 2009-05-21 | — | — | US | claimed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | claimed |
| EP-1845104-A1 | PAR-2 AGONIST | Kowa Company. Ltd. (JP) | 2007-10-17 | — | — | EP | claimed |
| US-6806292-B2 | SUCH AS N-CYANO-N'-CYCLOHEXYL-ETH-1-YL-ETHANE-AMIDINE; PESTICIDES, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2004-10-19 | — | — | US | claimed |
| US-20030100613-A1 | Substituted imide derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2003-05-29 | — | — | US | claimed |
| EP-1265852-A1 | SUBSTITUTED IMIDE DERIVATIVES | Bayer CropScience AG (DE) | 2002-12-18 | — | — | EP | claimed |
| WO-2001056975-A1 | SUBSTITUTED IMIDE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-08-09 | — | — | WO | claimed |
| EP-0740666-B1 | SUBSTITUTED 1,2,3,4-TETRAHYDRO-5-NITRO PYRIMIDINES | BAYER AG (DE) | 1999-11-10 | — | — | EP | claimed |
| US-5866611-A | PHENOXYPROPYLAMINE INHIBITORS OF SQUALENE SYNTHESE, USEFUL IN TREATING DISEASES IN WHICH A LOWERING OF CHOLESTEROL IS DESIRABLE. | ZENECA LIMITED (GB) | 1999-02-02 | — | — | US | claimed |
| EP-0419963-B1 | 1,2,3,4-Tetrahydro-5-nitropyrimidine derivatives | BAYER AG (DE) | 1994-12-07 | — | — | EP | claimed |
| EP-0589018-A1 | AMINES AS INHIBITORS OF SQUALENE SYNTHASE | ZENECA LIMITED (GB) | 1994-03-30 | — | — | EP | claimed |
| WO-1993020807-A1 | AMINES AS INHIBITORS OF SQUALENE SYNTHASE | ZENECA LIMITED (GB) | 1993-10-28 | — | — | WO | claimed |
| EP-0419963-A2 | 1,2,3,4-Tetrahydro-5-nitropyrimidine derivatives | BAYER AG (DE) | 1991-04-03 | — | — | EP | claimed |
| EP-0132676-A2 | Phosphoric or phosphonic acid esters | BAYER AG (DE) | 1985-02-13 | — | — | EP | claimed |
| EP-0100476-A2 | Phosphoric-acid esters, process for their preparation and their use as pesticides | BAYER AG (DE) | 1984-02-15 | — | — | EP | claimed |