⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5602389 | 0.83 | TP53 (0.32) | — | |
| SCHEMBL5604157 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL5602057 | 0.71 | KCNH2 (0.39) | — | |
| SCHEMBL5602316 | 0.70 | KCNH2 (0.42) | — | |
| SCHEMBL5601321 | 0.70 | KCNH2 (0.42) | — | |
| SCHEMBL5602455 | 0.68 | CALM1 (0.42) | — | |
| SCHEMBL5602978 | 0.67 | TAAR1 (0.36) | — | |
| SCHEMBL66594 | 0.63 | TSHR (0.35) | — | |
| Ether SCHEMBL9798107 | 0.62 | MAPT (0.36) | — | |
| SCHEMBL648250 | 0.62 | IDO1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4759762-B2 | — | — | 2011-08-31 | — | — | JP | claimed |
| EP-0891331-B1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMA (US) | 2003-10-01 | — | — | EP | claimed |
| EP-0891331-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1999-01-20 | — | — | EP | claimed |
| US-5717092-A | Compounds with improved multi-drug resistance activity | VERTEX PHARMACEUTICALS INC. (US) | 1998-02-10 | — | — | US | claimed |
| WO-1997036869-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-10-09 | — | — | WO | claimed |
| US-20240044876-A1 | IDENTIFYING NEW THERAPEUTIC AGENTS | WARP DRIVE BIO, INC. | 2024-02-08 | — | — | US | disclosed |
| US-11644460-B2 | Identifying new therapeutic agents | Revolution Medicines, Inc. (US) | 2023-05-09 | — | — | US | disclosed |
| US-10989710-B2 | Identifying new therapeutic agents | Revolution Medicines, Inc. (US) | 2021-04-27 | — | — | US | disclosed |
| US-20190271691-A1 | IDENTIFYING NEW THERAPEUTIC AGENTS | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2019-09-05 | — | — | US | disclosed |
| US-10203323-B2 | Identifying new therapeutic agents | WARP DRIVE BIO, INC. (US) | 2019-02-12 | — | — | US | disclosed |
| US-20160341719-A1 | IDENTIFYING NEW THERAPEUTIC AGENTS | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2016-11-24 | — | — | US | disclosed |
| US-9428845-B1 | Identifying new therapeutic agents | WARP DRIVE BIO, INC. (US) | 2016-08-30 | — | — | US | disclosed |
| EP-0891331-B1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMA (US) | 2003-10-01 | — | — | EP | disclosed |
| US-5935954-A | TREATING THE PATIENT SUFFERING FROM PARKINSON'S DISEASE, ALZHIMER'S DISEASE, STROKE AND ISCHEMIA ASSOCIATED WITH STROKE, NEURAL PAROPATHY, SCIATIC CRUSH, SPINAL CORD INJURY OR FACIAL NERVE CRASH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-08-10 | — | — | US | disclosed |
| EP-0891331-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1999-01-20 | — | — | EP | disclosed |
| US-5717092-A | Compounds with improved multi-drug resistance activity | VERTEX PHARMACEUTICALS INC. (US) | 1998-02-10 | — | — | US | disclosed |
| WO-1997036869-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-10-09 | — | — | WO | disclosed |