⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5996095 | 0.75 | CTSL (0.71) | — | |
| SCHEMBL11645574 | 0.75 | — | — | |
| SCHEMBL3428433 | 0.69 | — | — | |
| Cyano-Pyrrolidine SCHEMBL5076708 | 0.67 | — | — | |
| SCHEMBL311224 | 0.67 | — | — | |
| SCHEMBL10274655 | 0.67 | — | — | |
| Cyano-Pyrrolidine SCHEMBL3159964 | 0.67 | — | — | |
| SCHEMBL20240580 | 0.66 | — | — | |
| SCHEMBL30748985 | 0.65 | CTSL (0.48) | — | |
| Hydrochloric Acid SCHEMBL8584979 | 0.65 | CTSL (0.87) | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117062815-A | VMAT2 inhibitors and methods of use | 纽罗克里生物科学有限公司 | 2023-11-14 | — | — | CN | claimed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| WO-2022012550-A1 | SUBSTITUTED 1H-IMIDAZO [1, 2-B] PYRAZOLE-3-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS | HENAN NORMAL UNIVERSITY (CN) | 2022-01-20 | — | — | WO | claimed |
| WO-2021110142-A1 | SUBSTITUTED IMIDAZOLECARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS | HENAN NORMAL UNIVERSITY (CN) | 2021-06-10 | — | — | WO | claimed |
| EP-1667647-A4 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-10-22 | — | — | EP | claimed |
| EP-1667647-A2 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-06-14 | — | — | EP | claimed |
| US-20050107361-A1 | Monocyclic and bicyclic lactams as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMANY | 2005-05-19 | — | — | US | claimed |
| WO-2005032468-A2 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | claimed |
| US-20240010647-A1 | SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS | NEUROCRINE BIOSCIENCES, INC. | 2024-01-11 | — | — | US | disclosed |
| CN-117062815-A | VMAT2 inhibitors and methods of use | 纽罗克里生物科学有限公司 | 2023-11-14 | — | — | CN | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | disclosed |
| WO-2022012550-A1 | SUBSTITUTED 1H-IMIDAZO [1, 2-B] PYRAZOLE-3-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS | HENAN NORMAL UNIVERSITY (CN) | 2022-01-20 | — | — | WO | disclosed |
| EP-1667647-A2 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20050215574-A1 | 4-anilino quinazoline derivatives as antiproliferative agents | ASTRAZENECA AB (SE) | 2005-09-29 | — | — | US | disclosed |
| US-20050107361-A1 | Monocyclic and bicyclic lactams as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMANY | 2005-05-19 | — | — | US | disclosed |
| WO-2005032468-A2 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |
| EP-1487806-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | Astrazeneca AB (SE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082831-A1 | 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | ASTRAZENECA AB (SE) | 2003-10-09 | — | — | WO | disclosed |