⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2963149 | 0.75 | KDM4E (0.50) | — | |
| SCHEMBL2963146 | 0.75 | KDM4E (0.50) | — | |
| SCHEMBL3228247 | 0.74 | — | — | |
| Acrylonitrile SCHEMBL4361144 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL224946 | 0.72 | — | — | |
| SCHEMBL2384026 | 0.72 | — | — | |
| SCHEMBL2927846 | 0.69 | — | — | |
| SCHEMBL7708384 | 0.69 | KMT2A (0.70) | — | |
| SCHEMBL2240898 | 0.69 | KIF11 (0.47) | — | |
| SCHEMBL9512577 | 0.68 | ALDH1A1 (0.46) | — |
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-0417555-B1 | Pentamethine dyes and derivatives | BAYER AG (DE) | 1993-11-03 | — | — | EP | claimed |
| EP-0417555-A1 | Pentamethine dyes and derivatives | BAYER AG (DE) | 1991-03-20 | — | — | EP | claimed |
| EP-1207909-A2 | METHOD FOR COUPLING MOLECULES | MEDICAL RESEARCH COUNCIL (GB) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001015737-A2 | METHOD FOR COUPLING MOLECULES | MEDICAL RESEARCH COUNCIL (GB) | 2001-03-08 | — | — | WO | disclosed |
| EP-0722447-A1 | 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995010520-A1 | 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-20 | — | — | WO | disclosed |
| EP-0417555-B1 | Pentamethine dyes and derivatives | BAYER AG (DE) | 1993-11-03 | — | — | EP | disclosed |
| US-5138070-A | Laser transfer printing; opticalrecording media | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-11 | — | — | US | disclosed |
| US-5118814-A | Pressure sensitive and heat sensitive recording media | BAYER AKTIENGESELLSCHAFT (DE) | 1992-06-02 | — | — | US | disclosed |
| EP-0417555-A1 | Pentamethine dyes and derivatives | BAYER AG (DE) | 1991-03-20 | — | — | EP | disclosed |
| EP-0370198-A1 | Tetraindolyl heptamethine derivatives | BAYER AG (DE) | 1990-05-30 | — | — | EP | disclosed |