Water

Water

SCHEMBL2693536

[Ca+2].[O-]B(O)O.[OH-]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Water SCHEMBL2700034 0.94
SCHEMBL27952262 0.88 LMNA (0.33)
Water SCHEMBL4586552 0.88
Water SCHEMBL2694564 0.88
Hydrochloric Acid SCHEMBL2023845 0.88
Water SCHEMBL2693752 0.88
Water SCHEMBL5327631 0.88
Bromide SCHEMBL29148438 0.88
Water SCHEMBL2696061 0.88
Water SCHEMBL2700398 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168747-B2 Aerogel compositions for high temperature applications ASPEN AEROGELS, INC. (US) 2024-12-17 US disclosed
US-20240360363-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. 2024-10-31 US disclosed
US-11634641-B2 Aerogel compositions for high temperature applications ASPEN AEROGELS, INC. (US) 2023-04-25 US disclosed
US-11549059-B2 Aerogel compositions with enhanced performance MIDCAP FUNDING IV TRUST 2023-01-10 US disclosed
US-11261380-B2 Aerogel compositions for high temperature applications MIDCAP FUNDING IV TRUST 2022-03-01 US disclosed
US-20210207032-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. (US) 2021-07-08 US disclosed
US-20210198578-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. (US) 2021-07-01 US disclosed
US-20210079300-A1 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2021-03-18 US disclosed
US-20200061569-A1 AEROGEL COMPOSITIONS FOR HIGH TEMPERATURE APPLICATIONS ASPEN AEROGELS, INC. (US) 2020-02-27 US disclosed
CN-107250432-A Non-phosphorus coating treatment method for plastic working metal material for cold heading 韩英线材(株) 2017-10-13 CN disclosed
US-20160046867-A1 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE MIDCAP FUNDING IV TRUST 2016-02-18 US disclosed
US-9181486-B2 Aerogel compositions with enhanced performance ASPEN AEROGELS, INC. (US) 2015-11-10 US disclosed
US-8168304-B2 Micronized wood preservative formulations comprising boron compounds OSMOSE, INC. (US) 2012-05-01 US disclosed
US-20100183868-A1 Micronized wood preservative formulations comprising boron compounds OSMOSE UTILITIES SERVICES, INC. 2010-07-22 US disclosed
WO-2007140293-A2 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2007-12-06 WO disclosed
US-20070272902-A1 AEROGEL COMPOSITIONS WITH ENHANCED PERFORMANCE ASPEN AEROGELS, INC. (US) 2007-11-29 US disclosed
WO-2007095610-A2 MICRONIZED WOOD PRESERVATIVE FORMULATIONS COMPRISING BORON COMPOUNDS OSMOSE, INC. (US) 2007-08-23 WO disclosed
US-20060257578-A1 Micronized wood preservative formulations comprising boron compounds OSMOSE, INC. 2006-11-16 US disclosed