SCHEMBL21542476

SCHEMBL21542476

[CH2]C(C)(C)O[C@H](C)[C@@H]1CCCC(C)(C)C1

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
SCHEMBL27245493 1.00
SCHEMBL1802055 1.00
SCHEMBL27171592 0.86
SCHEMBL2735995 0.80 IDO1 (0.32)
SCHEMBL3206637 0.80
SCHEMBL13209034 0.80 IDO1 (0.32)
SCHEMBL1396689 0.80 IDO1 (0.32)
SCHEMBL31141331 0.80 IDO1 (0.32)
SCHEMBL5674761 0.78
SCHEMBL3397401 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856130-B1 ANTIPERSPIRANT OR DEODORANT COMPOSITION FIRMENICH & CIE (CH) 2024-06-12 EP claimed
US-20240076584-A1 HYBRID MICROCAPSULES COMPRISING LIGNIN PARTICLES FIRMENICH SA (CH) 2024-03-07 US disclosed
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 US disclosed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US disclosed
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2020-11-05 US disclosed
US-20190343977-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH SA (CH) 2019-11-14 US disclosed