⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3831058 | 0.78 | HRH3 (0.37) | — | |
| SCHEMBL9854901 | 0.76 | MAPK1 (0.38) | — | |
| Fluoride SCHEMBL28071051 | 0.76 | MAPK1 (0.38) | — | |
| SCHEMBL1515349 | 0.72 | TSHR (0.50) | — | |
| SCHEMBL5651945 | 0.72 | TSHR (0.50) | — | |
| SCHEMBL10375163 | 0.71 | — | — | |
| SCHEMBL7060296 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL4974478 | 0.71 | TAAR1 (0.41) | — | |
| SCHEMBL23774708 | 0.69 | PDE8B (0.36) | — | |
| SCHEMBL3835922 | 0.69 | CYP2A6 (0.45) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999032454-A9 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARM CO (US) | 2001-05-31 | — | — | WO | disclosed |
| EP-1064270-A2 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-01-03 | — | — | EP | disclosed |
| EP-1042299-A1 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-10-11 | — | — | EP | disclosed |
| EP-1015429-A1 | BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA | Du Pont Pharmaceuticals Company (US) | 2000-07-05 | — | — | EP | disclosed |
| US-6060491-A | ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; PROPHYLAXIS | DUPONT PHARMACEUTICALS (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| EP-0991625-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-12 | — | — | EP | disclosed |
| EP-0991638-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-04-12 | — | — | EP | disclosed |
| CN-1246847-A | Nitrogen containing heteroaromatics as factor Xa inhibitors | DU PONT MERCK PHARMA (US) | 2000-03-08 | — | — | CN | disclosed |
| US-6020357-A | CARDIOVASCULAR DISORDERS; ANTCOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-01 | — | — | US | disclosed |
| EP-0946508-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| EP-0946528-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1999032454-A1 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-07-01 | — | — | WO | disclosed |
| WO-1999012903-A1 | BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-03-18 | — | — | WO | disclosed |
| WO-1998057937-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |
| WO-1998057951-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |
| WO-1998028269-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998028282-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |
| US-5489591-A | INHIBITORS OF AROMATASE; TREATING ENDOMETRIOSIS, BREAST CANCER CYSTIC OVARIES | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-02-06 | — | — | US | disclosed |