⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7059081 | 0.79 | — | — | |
| SCHEMBL4305478 | 0.77 | DGAT1 (0.46) | — | |
| SCHEMBL6065154 | 0.77 | — | — | |
| SCHEMBL677960 | 0.77 | — | — | |
| SCHEMBL160191 | 0.74 | — | — | |
| SCHEMBL11392020 | 0.74 | — | — | |
| SCHEMBL722674 | 0.73 | — | — | |
| SCHEMBL2007713 | 0.73 | DGAT1 (0.42) | — | |
| SCHEMBL23869987 | 0.72 | — | — | |
| SCHEMBL534515 | 0.72 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626968-B1 | PIPERIDINYL THIACYCLIC DERIVATIVES | MERRELL PHARMA INC (US) | 2001-09-26 | — | — | EP | disclosed |
| US-5739150-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1998-04-14 | — | — | US | disclosed |
| US-5650416-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-22 | — | — | US | disclosed |
| US-5631268-A | ANTIALLERGENS, 5HT2 RECEPTOR ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5602147-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-02-11 | — | — | US | disclosed |
| US-5596003-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-01-21 | — | — | US | disclosed |
| US-5541200-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5476861-A | Piperidinyl thiacyclic derivatives | MERRELL DOW PHARMACEURICALS INC. (US) | 1995-12-19 | — | — | US | disclosed |
| EP-0626968-A4 | — | — | 1995-01-04 | — | — | EP | disclosed |
| EP-0626968-A1 | PIPERIDINYL THIACYCLIC DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1994-12-07 | — | — | EP | disclosed |
| US-5371093-A | Piperidinyl thiacyclic derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-12-06 | — | — | US | disclosed |
| WO-1993016081-A1 | PIPERIDINYL THIACYCLIC DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-08-19 | — | — | WO | disclosed |