⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18113870 | 0.82 | TRPV4 (0.33) | — | |
| SCHEMBL18113769 | 0.81 | TRPV4 (0.38) | — | |
| SCHEMBL20481600 | 0.81 | NPC1 (0.39) | — | |
| SCHEMBL18113828 | 0.80 | NPC1 (0.35) | — | |
| SCHEMBL20481492 | 0.80 | PIK3CG (0.34) | — | |
| SCHEMBL18113907 | 0.79 | IRAK4 (0.36) | — | |
| SCHEMBL18113891 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL18113787 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL18113837 | 0.78 | RIPK1 (0.33) | — | |
| SCHEMBL18113860 | 0.78 | RIPK1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180243298-A1 | TRPV3 MODULATORS | ABBVIE INC. | 2018-08-30 | — | — | US | claimed |
| WO-2016160938-A1 | N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS | ABBVIE INC. (US) | 2016-10-06 | — | — | WO | claimed |
| US-20180243298-A1 | TRPV3 MODULATORS | ABBVIE INC. | 2018-08-30 | — | — | US | disclosed |
| WO-2016160938-A1 | N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS | ABBVIE INC. (US) | 2016-10-06 | — | — | WO | disclosed |