⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1792873 | 0.75 | IDO1 (0.60) | — | |
| Benzene SCHEMBL11697595 | 0.75 | MEN1 (0.78) | — | |
| SCHEMBL1654 | 0.75 | MEN1 (0.78) | — | |
| SCHEMBL5799878 | 0.75 | MEN1 (0.78) | — | |
| Hydrochloric Acid SCHEMBL1862144 | 0.73 | MEN1 (0.74) | — | |
| SCHEMBL21550054 | 0.73 | MEN1 (0.74) | — | |
| Hydrochloric Acid SCHEMBL7340226 | 0.73 | MAPT (0.62) | — | |
| SCHEMBL570594 | 0.73 | — | — | |
| Water SCHEMBL11666905 | 0.73 | MEN1 (0.74) | — | |
| Ammonia Solution, Strong SCHEMBL2064651 | 0.73 | MEN1 (0.74) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0034326-A1 | Chiral polysiloxanes, process for their preparation and their use | Bayer, Ernst, Prof. Dr. (DE) | 1981-08-26 | — | — | EP | claimed |
| US-7416868-B2 | Polyene polyketides, processes for their production and their use as a pharmaceutical | THALLION PHARMACEUTICALS, INC. (CA) | 2008-08-26 | — | — | US | disclosed |
| US-20070275436-A1 | Polyene polyketides, processes for their production and their use as a pharmaceutical | ECOPIA BIOSCIENCES, INC. | 2007-11-29 | — | — | US | disclosed |
| EP-1585752-B1 | POLYENE POLYKETIDES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL | THALLION PHARMACEUTICALS INC (CA) | 2007-11-21 | — | — | EP | disclosed |
| EP-1085009-B1 | INDAN DERIVATIVES | NISSAN CHEMICAL IND LTD (JP) | 2004-11-10 | — | — | EP | disclosed |
| US-6486178-B1 | Indane derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2002-11-26 | — | — | US | disclosed |
| WO-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | disclosed |
| EP-1085009-A1 | INDAN DERIVATIVES | Nissan Chemical Industries, Ltd. (JP) | 2001-03-21 | — | — | EP | disclosed |
| EP-0392317-A2 | Benzimidazoles, drugs containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1990-10-17 | — | — | EP | disclosed |
| US-4387206-A | CHROMATOGRAPHY | BAYER ERNST (DE) | 1983-06-07 | — | — | US | disclosed |
| EP-0034326-A1 | Chiral polysiloxanes, process for their preparation and their use | Bayer, Ernst, Prof. Dr. (DE) | 1981-08-26 | — | — | EP | disclosed |