⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4813316 | 1.00 | — | — | |
| SCHEMBL1107295 | 0.97 | — | — | |
| SCHEMBL4812873 | 0.90 | — | — | |
| SCHEMBL21418617 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL25112407 | 0.66 | — | — | |
| SCHEMBL25032719 | 0.64 | TDP1 (0.31) | — | |
| SCHEMBL25107222 | 0.64 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4811268 | 0.63 | — | — | |
| SCHEMBL4812763 | 0.63 | — | — | |
| SCHEMBL4808931 | 0.62 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666862-B2 | 2,4-Diphenyl-1-(hexamethylenimin-4-ylaminocarbonyl)dihydropyrrole derivatives that are useful for treating cancer | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-7638549-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropyrrolidin3-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide; antiproliferative and -carcinogenic agents | MERCK & CO. INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7638549-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropyrrolidin3-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide; antiproliferative and -carcinogenic agents | MERCK & CO. INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7622468-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-7622489-B2 | Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-dihydro-1N-pyrrol-1-carboxamide | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-7465746-B2 | Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP | MERCK & CO., INC. (US) | 2008-12-16 | — | — | US | disclosed |
| US-7427637-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2008-09-23 | — | — | US | disclosed |
| US-20080199459-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-08-21 | — | — | US | disclosed |
| US-7411096-B2 | Process for producing optically active phosphorus heterocyclic dimer | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2008-08-12 | — | — | US | disclosed |
| US-7348440-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-7348440-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-7329762-B2 | Prodrugs of mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2008-02-12 | — | — | US | disclosed |
| US-7307085-B2 | Kinesin spindle protein (KSP) inhibitors; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator; e.g. bicyclic dihydropyrrole derivatives | MERCK & CO., INC. (US) | 2007-12-11 | — | — | US | disclosed |
| US-7235580-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-7235580-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20060211888-A1 | 2,2'-bis-(1-alkylphosphetanes); a primary alkyl or cycloalkyl phosphine is reacted with 1,3-dichloropropane, in the presence of n-butyllithium, and then reacted with boron trihydride, oxygen, or sulfur, dimerizing, removing the boron trihydride, oxygen, or sulfur; assymetric hydrogenation catalysts | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2006-09-21 | — | — | US | disclosed |
| EP-1650216-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE DIMER OF PHOSPHORUS HETEROCYCLE | NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) | 2006-04-26 | — | — | EP | disclosed |