Heptane

Heptane

SCHEMBL6260859

CCCCCCC.[CH2]C

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ 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
Dodecane SCHEMBL28209229 1.00 TSHR (0.80)
Hexane SCHEMBL44009 0.95
Decane SCHEMBL8382473 0.90 TSHR (0.80)
Decane SCHEMBL2861344 0.90 TSHR (0.80)
Tetradecane SCHEMBL25387874 0.89 TSHR (1.00)
SCHEMBL23854647 0.89 TSHR (1.00)
SCHEMBL198343 0.89 TSHR (1.00)
Decane SCHEMBL23499900 0.89 TSHR (1.00)
Heptane SCHEMBL10948326 0.89 TSHR (1.00)
Decane SCHEMBL170135 0.89 TSHR (1.00)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058448-B1 HYDANTOIN DERIVATIVES AS ADAMTS7 ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER AG (DE) 2024-05-29 EP disclosed
US-20230027346-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
EP-4058448-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2022-09-21 EP disclosed
WO-2021094436-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
EP-3822268-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2021-05-19 EP disclosed
EP-2992334-B1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2018-06-27 EP disclosed
US-9784701-B2 Phosphatidylalkanols and compositions thereof Pethmark AB (SE) 2017-10-10 US disclosed
EP-2960238-B1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2017-04-05 EP disclosed
US-20170052132-A1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2017-02-23 US disclosed
US-9499572-B2 Phosphatidylalkanols and compositions thereof Pethmark AB (SE) 2016-11-22 US disclosed
US-20160052946-A1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2016-02-25 US disclosed
EP-2960238-A1 MONOCYCLIC PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP disclosed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO disclosed