⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2094157 | 0.82 | — | — | |
| SCHEMBL13185338 | 0.82 | — | — | |
| SCHEMBL7809742 | 0.82 | — | — | |
| SCHEMBL7809739 | 0.82 | — | — | |
| SCHEMBL4941169 | 0.82 | — | — | |
| SCHEMBL5644748 | 0.80 | SCN10A (0.40) | — | |
| SCHEMBL4942245 | 0.80 | — | — | |
| SCHEMBL4681496 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL3659324 | 0.77 | SORT1 (0.36) | — | |
| SCHEMBL13946902 | 0.77 | PTGS1 (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 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3704113-B1 | BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2023-10-11 | — | — | EP | disclosed |
| EP-3704112-B1 | ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2023-09-27 | — | — | EP | disclosed |
| EP-3728216-B1 | PYRAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2023-09-06 | — | — | EP | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-11697646-B2 | Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-07-11 | — | — | US | disclosed |
| US-11697646-B2 | Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-07-11 | — | — | US | disclosed |
| US-11690825-B2 | 20-HETE receptor (GPR75) antagonists and methods of use | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2023-07-04 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| EP-1221440-A1 | Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators | Otsuka Pharmaceutical Company, Limited (JP) | 2002-07-10 | — | — | EP | disclosed |
| US-20020049194-A1 | Benzoheterocyclic derivatives | OGAWA HIDENORI (JP) | 2002-04-25 | — | — | US | disclosed |
| US-6335327-B1 | Benzoheterocyclic derivatives | OTSUKA PHARMACEUTICALS CO., LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| US-6096735-A | Benzoheterocyclic derivatives | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 2000-08-01 | — | — | US | disclosed |
| EP-0765314-A1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995034540-A1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-12-21 | — | — | WO | disclosed |
| US-5395838-A | Aromatic aminomethyl substitutes compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-03-07 | — | — | US | disclosed |
| US-5252573-A | Quinazoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| US-5089499-A | Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-18 | — | — | US | disclosed |
| EP-0034924-A2 | Process for preparing 3-iodomethyl cephalosporins | ELI LILLY AND COMPANY (US) | 1981-09-02 | — | — | EP | disclosed |