⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11639745 | 0.75 | — | — | |
| SCHEMBL2593743 | 0.75 | — | — | |
| SCHEMBL11557468 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL13478268 | 0.75 | MAPT (0.33) | — | |
| Bromide SCHEMBL11738317 | 0.73 | INMT (0.45) | — | |
| SCHEMBL11210281 | 0.71 | — | — | |
| SCHEMBL2399202 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11772550 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL7648117 | 0.70 | CYP3A4 (0.35) | — | |
| SCHEMBL11208423 | 0.69 | MAPT (0.35) | — |
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-3953334-B1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL MYERS SQUIBB CO (US) | 2023-11-22 | — | — | EP | disclosed |
| EP-4234555-A2 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE | Bristol-Myers Squibb Company (US) | 2023-08-30 | — | — | EP | disclosed |
| US-20220144836-A1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL-MYERS SQUIBB COMPANY | 2022-05-12 | — | — | US | disclosed |
| CN-114375290-A | Novel synthetic options for the preparation of (6R,10S) -10- {4- [ 5-chloro-2- (4-chloro-1H-1, 2, 3-triazol-1-yl) phenyl ] -6-oxo-1 (6H) -pyrimidinyl } -1- (dioxomethyl) -6-methyl-1, 4,7,8,9, 10-hexahydro-11, 15- (methylenebridging) pyrazolo [4,3-B ] [1,7] diazacyclotetradecyn-5 (6H) -one | 百时美施贵宝公司 | 2022-04-19 | — | — | CN | disclosed |
| EP-3953334-A1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| WO-2020210613-A1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-10-15 | — | — | WO | disclosed |
| US-10051861-B2 | N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG (DE) | 2018-08-21 | — | — | US | disclosed |
| US-9642363-B2 | N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG (DE) | 2017-05-09 | — | — | US | disclosed |
| US-20170057914-A1 | N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES | BAYER CROPSCIENCE AG | 2017-03-02 | — | — | US | disclosed |
| US-20140315898-A1 | N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES | BAYER CROPSCIENCE AG (DE) | 2014-10-23 | — | — | US | disclosed |
| EP-0467599-B1 | N-Alkyl thiazolidine derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-5202342-A | Usefule for treatment of liver disorders | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1993-04-13 | — | — | US | disclosed |
| EP-0467599-A1 | N-Alkyl thiazolidine derivatives | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1992-01-22 | — | — | EP | disclosed |