SCHEMBL875287

SCHEMBL875287

[CH2]C1=CC=CC(OC)(OC)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
SCHEMBL29386798 0.76
SCHEMBL29236046 0.74
SCHEMBL3275918 0.74
SCHEMBL9957230 0.68 TSHR (0.34)
SCHEMBL28466983 0.67 CHRM3 (0.35)
SCHEMBL11315463 0.67 NPC1 (0.33)
SCHEMBL1835482 0.67
SCHEMBL27489842 0.63 NPC1 (0.30)
SCHEMBL28271970 0.63
SCHEMBL27447556 0.63 TRPA1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-10-01 US disclosed
EP-3704130-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF Melinta Therapeutics, Inc. (US) 2020-09-09 EP disclosed
US-10669292-B2 Synthesis of boronate salts and uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
EP-3604316-A1 SYNTHESIS OF BORONATE SALTS Rempex Pharmaceuticals, Inc. (US) 2020-02-05 EP disclosed
US-20200031851-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-01-30 US disclosed
US-10385074-B2 Synthesis of boronate salts and uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2019-08-20 US disclosed
EP-3140310-B1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
US-20190127396-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF CORTLAND CAPITAL MARKET SERVICES LLC, AS AGENT 2019-05-02 US disclosed
EP-3140310-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-03-15 EP disclosed
US-20170057979-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF MELINTA SUBSIDIARY CORP. 2017-03-02 US disclosed
WO-2015171430-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed