SCHEMBL20138799

SCHEMBL20138799

[2H]C([2H])([2H])n1nc(Br)nc1Br

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30996521 0.72
SCHEMBL30996525 0.72
SCHEMBL29441638 0.70
SCHEMBL29441621 0.70
SCHEMBL29441627 0.70
SCHEMBL29441637 0.66 NPSR1 (0.36)
SCHEMBL31381603 0.59
SCHEMBL22981076 0.58
SCHEMBL30993366 0.57
SCHEMBL24940736 0.57 AOC3 (0.31)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444708-B1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER (US) 2025-07-30 EP disclosed
US-20250129048-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-04-24 US disclosed
CN-118369317-A Melanocortin 4 receptor antagonists and uses thereof 辉瑞大药厂 2024-07-19 CN disclosed
CN-109790149-B Phenoxytriazoles 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-A1 PHENOXYTRIAZOLES F. Hoffmann-La Roche AG (CH) 2019-09-18 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed