⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27495515 | 0.83 | CHRM2 (0.33) | — | |
| SCHEMBL6753285 | 0.77 | — | — | |
| SCHEMBL3299984 | 0.77 | — | — | |
| SCHEMBL13407306 | 0.77 | — | — | |
| SCHEMBL2359472 | 0.77 | — | — | |
| SCHEMBL1993729 | 0.74 | — | — | |
| SCHEMBL17484266 | 0.74 | CD274 (0.43) | — | |
| SCHEMBL19963527 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL20111210 | 0.72 | PGR (0.30) | — | |
| SCHEMBL18631497 | 0.72 | CHRM2 (0.48) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0853618-B1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMA INC (US) | 2011-08-17 | — | — | EP | disclosed |
| US-7144902-B1 | Prodrugs of thrombin inhibitors | ABBOTT GMBH & CO. KG (DE) | 2006-12-05 | — | — | US | disclosed |
| WO-2004063156-A1 | NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS | BIOVITRUM AB (SE) | 2004-07-29 | — | — | WO | disclosed |
| EP-0956294-B1 | THROMBIN INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-06-09 | — | — | EP | disclosed |
| EP-1165601-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-02 | — | — | EP | disclosed |
| EP-1049673-A1 | HETEROCYCLIC AMIDINES AS CALLICREIN PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-08 | — | — | EP | disclosed |
| WO-2000061609-A2 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |
| US-6114358-A | Thrombin inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-05 | — | — | US | disclosed |
| EP-0853618-A4 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2000-03-15 | — | — | EP | disclosed |
| EP-0956294-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-17 | — | — | EP | disclosed |
| US-5958918-A | Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds | RHONE-POULENC RORER PHARMACEUTICALS INC. | 1999-09-28 | — | — | US | disclosed |
| WO-1999037611-A1 | HETEROCYCLIC AMIDINES AS CALLICREIN PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |
| EP-0853618-A1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1998-07-22 | — | — | EP | disclosed |
| WO-1998006741-A1 | THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-19 | — | — | WO | disclosed |
| WO-1996040679-A1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| US-4515618-A | PLANT GROWTH REGULATORS | CHEVRON RESEARCH COMPANY (US) | 1985-05-07 | — | — | US | disclosed |
| US-4122256-A | OPTICAL BRIGHTENERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-24 | — | — | US | disclosed |
| US-4052433-A | INTERMEDIATES FOR BENZOFURANS | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-10-04 | — | — | US | disclosed |
| US-3994879-A | CONDENSING AZOMETHINES, OPTICAL BRIGHTENERS | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-11-30 | — | — | US | disclosed |